Welcome to LookChem.com Sign In|Join Free

CAS

  • or

532-55-8

Post Buying Request

532-55-8 Suppliers

Recommended suppliersmore

  • Product
  • FOB Price
  • Min.Order
  • Supply Ability
  • Supplier
  • Contact Supplier

532-55-8 Usage

Description

Benzoyl isothiocyanate is an organic compound with the chemical formula C8H7NOS. It is a clear yellow to orange-brown liquid and is known for its unique chemical properties.

Uses

Used in Pharmaceutical Industry:
Benzoyl isothiocyanate is used as a key intermediate in the synthesis of various pharmaceutical compounds. It plays a crucial role in the preparation of 1-benzoyl-3-(5-chloro-2-hydroxyphenyl)thiourea, a new thiourea derivative with potential applications in the development of novel drugs.
Used in Chemical Synthesis:
Benzoyl isothiocyanate is also used as a reagent in the chemical synthesis of other organic compounds, such as guanine. Its unique chemical properties make it a valuable building block for creating a wide range of molecules with diverse applications in various industries.

Purification Methods

Distil the isothiocyanate over a small amount of P2O5, whereby the distillate crystallises in prisms. It is readily hydrolysed by H2O to give benzamide and benzoylurea, but with NH3 it gives benzoylurea m 210o which can be recrystallised from EtOH. [Hill & Degnan J Am Chem Soc 62 1595 1940, Terss & McEwen J Am Chem Soc 76 580 1954, Frank & Smith Org Synth Coll Vol III 735 1955, Beilstein 9 IV 777.]

Check Digit Verification of cas no

The CAS Registry Mumber 532-55-8 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 5,3 and 2 respectively; the second part has 2 digits, 5 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 532-55:
(5*5)+(4*3)+(3*2)+(2*5)+(1*5)=58
58 % 10 = 8
So 532-55-8 is a valid CAS Registry Number.
InChI:InChI=1/C8H5NOS/c10-8(9-6-11)7-4-2-1-3-5-7/h1-5H

532-55-8 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
  • Packaging
  • Price
  • Detail
  • Alfa Aesar

  • (L06964)  Benzoyl isothiocyanate, 98%   

  • 532-55-8

  • 5g

  • 164.0CNY

  • Detail
  • Alfa Aesar

  • (L06964)  Benzoyl isothiocyanate, 98%   

  • 532-55-8

  • 25g

  • 681.0CNY

  • Detail
  • Aldrich

  • (261653)  Benzoylisothiocyanate  98%

  • 532-55-8

  • 261653-5G

  • 266.76CNY

  • Detail
  • Aldrich

  • (261653)  Benzoylisothiocyanate  98%

  • 532-55-8

  • 261653-25G

  • 969.93CNY

  • Detail

532-55-8Relevant articles and documents

Structural, spectral, optical and antimicrobial properties of synthesized 1-benzoyl-3-furan-2-ylmethyl-thiourea

Karipcin, Fatma,Atis, Murat,Sariboga, Bahtiyar,Celik, Hasan,Tas, Murat

, p. 69 - 77 (2013)

The 1-benzoyl-3-furan-2-ylmethyl-thiourea (bftu) was synthesized and its structure was determined by elemental analyses, IR spectroscopy, 1H and 13C NMR spectroscopy and single crystal X-ray diffraction analysis. Also its antimicrobi

Syntheses based on 3,4-dimethyl-2-thioxothiazoline-5-carboxylic acid hydrazide and azide

Dovlatyan,Eliazyan,Pivazyan,Yengoyan

, p. 383 - 388 (2006)

Treatment of 3,4-dimethyl-2-thioxothiazoline-5-carboxylic acid hydrazide with NH4SCN and PhCONCS gave the corresponding thiosemicarbazides, arylsulfochlorides yielded the arylsulfonylhydrazides, and diazotization conditions gave the correspondi

Synthesis, spectral and single-crystal analyses of new derivatives of 4-amino-N-benzylpiperidine

Hassan, Ibrahim N.,Tarawneh, Mou'ad A.,Yamin, Bohari M.

, p. 4457 - 4460 (2015)

Two new compounds of thiourea derivatives of cinnamoyl and benzoylisothiocyanate with 4-amino-N-benzylpiperidine have been successfully synthesized. The new molecules, 1-(1-benzylpiperidine-4-yl)-3-benzoyl thiourea (I) (yield 83 %) and 1-(1-benzylpiperidi

Design, synthesis, and anticancer activity of novel 4-thiazolidinone-phenylaminopyrimidine hybrids

Türe, Asl?,Ergül, Mustafa,Ergül, Merve,Altun, Ahmet,Kü?ükgüzel, ?lkay

, p. 1025 - 1050 (2021)

Abstract: 4-Thiazolidinones and phenylaminopyrimidines are known as anticancer agents. Imatinib is the pioneer phenylaminopyrimidine derivative kinase inhibitor, which is used for the treatment of chronic myeloid leukemia. With a hybrid approach, a novel series of 5-benzylidene-2-arylimino-4-thiazolidinone derivatives containing phenylaminopyrimidine core were designed, synthesized, and tested for their anticancer activity on K562 (chronic myeloid leukemia), PC3 (prostat cancer), and SHSY-5Y (neuroblastoma) cells. Since superior anticancer activity was observed on K562 cells, further biological studies of selected compounds (8, 15, and 34) were performed on K562 cells. For the synthesis of designed compounds, thiourea compounds were converted to 2-imino-1,3-thiazolidin-4-ones with α-chloroacetic acid in the presence of sodium acetate. 5-Benzylidene-2-imino-1,3-thiazolidin-4-one derivatives were obtained by Knoevenagel condensation of 2-imino-1,3-thiazolidin-4-ones with related aldehydes. Compounds 8, 15, and 34 were evaluated for cell viability, apoptosis studies, cell cycle experiments, and DNA damage assays. IC50 values of compounds 8, 15, and 34 were found as 5.26 ± 1.03, 3.52 ± 0.91, and 8.16 ± 1.27?μM, respectively, in K562 cells. Preferably, these compounds showed less toxicity towards L929 cells compared to imatinib. Furthermore, compounds 8 and 15 significantly induced early and late apoptosis in a time-dependent manner. Compounds 15 and 34 induced cell cycle arrest at G0/G1 phase and compound 8 caused cell cycle arrest at G2/M phase. Based on DNA damage assay, compounds 8 and 15 were found to be more genotoxic than imatinib towards K562 cells. To put more molecular insight, possible Abl inhibition mechanisms of most active compounds were predicted by molecular docking studies. In conclusion, a novel series of 5-benzylidene-2-arylimino-4-thiazolidinone derivatives and their promising anticancer activities were reported herein. Graphic abstract: [Figure not available: see fulltext.]

Antihyperglycemic activity of chalcone based novel 1-{3-[3-(substituted phenyl) prop-2-enoyl] phenyl} thioureas

Acharjee, Satarupa,Maity, Tapan Kumar,Samanta, Subir,Mana, Supriya,Chakraborty, Tania,Singha, Tanushree,Mondal, Arijit

, p. 3015 - 3024 (2018)

The present study describes the synthesis of novel chalcone based 1-{3-[3-(substituted phenyl) prop-2-enoyl] phenyl} thioureas (4a-c) using Claisen Schmidt condensation and investigates their protective role in diabetic conditions and associated oxidative

Characterization and Computational Studies of 2-(Benzamido)Thiazol-5-yl Benzoate

Odame,Hosten,Betz,Lobb,Tshentu

, p. 136 - 142 (2019)

2-(Benzamido)thiazolylbenzoate is synthesized via a novel method. It is characterized by spectroscopy, micranalysis, and GC-MS. It crystallizes in the monoclinic space group P21/n with a = 19.8990(5), b = 7.3680(2), c = 22.3845(6) ?, β = 113.799(1)°, V = 3002.85(14) ?3Z = 8. The HOMO-LUMO of the reactants and products are considered.

The synthesis of triazolothiadiazines and thiadiazoles from 1,2-bis-(4-amino-5-mercapto-1,2,4-triazol-3-yl)-ethanol and ethane

Moustafa,Haggam,Younes,El Ashry

, p. 2361 - 2371 (2006)

The reaction of DL-malic and succinic acids with thiocarbohydrazide afforded 1,2-bis[4-amino-5-mercapto-1,2,4-triazol-3-yl]-ethane derivatives 3a and 3b. The reaction of 3a,b with phenacyl bromide and benzoin afforded 1,2-bis-1,2,4-triazolo [3,4-b][1,3,4]thiadiazine derivatives 4 and 5. The carboethoxymethylation of 3a and 3b gave 6a and 6b, respectively, and their reactions with carbon disulfide and benzoylisothiocyanate gave the 1,2-bis-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole 7 and 9, and with p-nitrobenzaldehyde gave a Schiff's base and dihydrothiadiazole 8. The structures were confirmed by using 1H and 13C NMR spectra. Selected members of these compounds were screened for antimicrobial activity. Copyright Taylor & Francis Group, LLC.

Synthesis and intramolecular cyclization of N-acyl- and N-allyl-N'-(2-oxo-1,2-dihydro-pyridin-3-yl)thiourea

Kulakov,Nikitina,Fisyuk,Goncharov,Shul'Gau,Gulyaev

, p. 670 - 676 (2014)

The reaction of 3-amino-4,6-dimethylpyridin-2(1H)-one and 3-amino-4-phenylpyridin-2-one with acyl isothiocyanates (benzoyl-, 4-bromobenzoyl-, and methacryloyl isothiocyanates) and with allyl isothiocyanate has been studied. The N-carbamothioyl methacrylam

Gold(I), silver(I) and copper(I) complexes of 2,4,6-trimethylphenyl-3-benzoylthiourea; synthesis and biological applications

Khan, Umar Ali,Badshah, Amin,Tahir, Muhammad Nawaz,Khan, Ezzat

, (2020)

2,4,6-Trimethylphenyl-3-benzoylthiourea (L) and its gold(I), silver(I) and copper(I) complexes were synthesized. Treatment of L with HAuCl4, AgNO3 and CuI in CH3CN afforded complexes of general representation, M(L)X, where

Guanidinyl benzothiazole derivatives: Synthesis and structure activity relationship studies of a novel series of potential antimicrobial and antioxidants

Bhat, Mahesh,Belagali

, p. 6195 - 6208 (2016)

Abstract: A series of N-phenyl-substituted and disubstituted guanidinyl benzothiazole derivatives 4a–4m were synthesized and characterized as novel antimicrobial and antioxidant agents. The in-vitro antioxidant activities of these compounds were evaluated and compared with commercial antioxidants, using ascorbic acid (AA) and employing 1,1-diphenyl-2-picrylhydrazyl (DPPH) assay and 2,2′-azino-bis (3-ethylbenzthiazoline-6-sulphonic acid (ABTS) assay. The results showed that IC50 values of compounds 4a and 4m were similar to the IC50 values of the standard. This assay indicates the good activities of these compounds. In addition, the in-vitro antimicrobial activities of these compounds were evaluated and the results demonstrated that the compounds 4i and 4l exhibited excellent antimicrobial activities. Compounds 4c and 4i having electron withdrawing groups at p-position and compound 4l and 4m having electron donating groups at o-position showed better antimicrobial activities compared to the standard. Graphical Abstract: [Figure not available: see fulltext.]

DNA binding, DNA cleavage and HSA interaction of several metal complexes containing N-(2-hydroxyethyl)-N′-benzoylthiourea and 1,10-phenanthroline ligands

Peng, Bo,Gao, Zhuantao,Li, Xibo,Li, Tingting,Chen, Guorong,Zhou, Min,Zhang, Ji

, p. 903 - 916 (2016)

Abstract: Four novel ternary metal complexes of the type [M(Phen)(L1)2)] [phen?=?1,10-phenanthroline, L1?=?N-(2-hydroxyethyl)-N′-benzoylthiourea, M?=?Ni(II)(1), Co(II) (2), Cu(II) (3), Pd(II) (4)] were synthesized. The org

Synthesis of acyl thiourea derivatives of chitosan and their antimicrobial activities in vitro

Zhong, Zhimei,Xing, Ronge,Liu, Song,Wang, Lin,Cai, Shengbao,Li, Pengcheng

, p. 566 - 570 (2008)

Three different acyl thiourea derivatives of chitosan (CS) were synthesized and their structures were characterized by FT-IR spectroscopy and elemental analysis. The antimicrobial behaviors of CS and its derivatives against four species of bacteria (Escherichia coli, Pseudomonas aeruginosa, Staphylococcus aureus, and Sarcina) and four crop-threatening pathogenic fungi (Alternaria solani, Fusarium oxysporum f. sp. vasinfectum, Colletotrichum gloeosporioides (Penz.) Saec, and Phyllisticta zingiberi) were investigated. The results indicated that the antimicrobial activities of the acyl thiourea derivatives are much better than that of the parent CS. The minimum value of MIC and MBC of the derivatives against E. coli was 15.62 and 62.49 μg/mL, respectively. All of the acyl thiourea derivatives had a significant inhibitory effect on the fungi in concentrations of 50-500 μg/mL; the maximum inhibitory index was 66.67%. The antifungal activities of the chloracetyl thiourea derivatives of CS are noticeably higher than the acetyl and benzoyl thiourea derivatives. The degree of grafting of the acyl thiourea group in the derivatives was related to antifungal activity; higher substitution resulted in stronger antifungal activity.

1-Benzoyl-3-[(2-benzylsulfanyl)phenyl]thiourea

Bhattacharjee, Tirtha,Gogoi, Prasanta,Puranik, Vedavati G.,Gawade, Rupesh L.,Barman, Pranjit

, p. o485-o487 (2012)

In the title compound, C21H18N2OS2, a strong intramolecular N-H?O hydrogen bond [N?O = 2.642(3)?] between the amide N atom and the benzoyl O atom forms an almost planar six-membered ring in the central part of the molecule. In the crystal, molecules are p

Theoretical and experimental verification of molecular properties of novel benzamide derivatives using computational platforms and in vitro antibacterial activity

Wanjari, Poonam M.,Mokale, Santosh N.,Bharati, Avinash V.,Ingle, Vishwas N.

, p. 655 - 663 (2021/01/07)

A series of N-(benzo[d]oxazol-2-ylcarbamothioyl)-2/4-substituted benzamides were synthesized by the reaction of 2-aminobenzoxazole with apposite benzoyl isothiocyanate. The structure of the newly synthesized compounds was confirmed by chemical tests, elemental (C, H, N, and S), and spectral (IR, 1H NMR, 13C NMR, and mass) analysis. All the synthesized compounds were evaluated experimentally for their antibacterial activity against Gram-positive and Gram-negative bacteria. The test results show moderate to potent antibacterial activity compared to the standard drug. The binding interactions of newly synthesized ligand and protein were correlated using a molecular docking study using a binding pocket of GlcN-6-P synthase. [Figure not available: see fulltext.].

Efficient Synthesis of Benzothiazinone Analogues with Activity against Intracellular Mycobacterium tuberculosis

Av-Gay, Yossef,Imming, Peter,Narula, Gagandeep,Richter, Adrian,Rudolph, Ines,Wagner, Christoph,Seidel, Rüdiger W.

supporting information, (2021/12/27)

8-Nitrobenzothiazinones (BTZs) are a promising class of antimycobacterial agents currently under investigation in clinical trials. Starting from thiourea derivatives, a new synthetic pathway to BTZs was established. It allows the formation of the thiazinone ring system in one synthetic step and is applicable for preparation of a wide variety of BTZ analogues. The synthetic procedure furthermore facilitates the replacement of the sulphur atom in the thiazinone ring system by oxygen or nitrogen to afford the analogous benzoxazinone and quinazolinone systems. 36 BTZ analogues were prepared and tested in luminescence-based assays for in vitro activity against Mycobacterium tuberculosis (Mtb) using the microdilution broth method and a high-throughput macrophage infection assay.

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 532-55-8