Thiocarbohydrazide

Base Information

• Chemical Name: Thiocarbohydrazide
• CAS No.: 2231-57-4
• Molecular Formula: CH6N4S
• Molecular Weight: 106.151
• Hs Code.: 29309090
• European Community (EC) Number: 218-769-8
• NSC Number: 689
• UN Number: 2811,2588
• UNII: 1IZ2H82NWU
• DSSTox Substance ID: DTXSID7027461
• Nikkaji Number: J48.453I
• Wikipedia: Thiocarbohydrazide
• Wikidata: Q7784653
• Metabolomics Workbench ID: 70051
• ChEMBL ID: CHEMBL3181818
• Mol file: 2231-57-4.mol

Synonyms:thiocarbohydrazide

Chemical Property of Thiocarbohydrazide

Chemical Property:

• Appearance/Colour: white to grey-beige crystalline powder
• Vapor Pressure: 0.067mmHg at 25°C
• Melting Point: 171-174 °C (dec.)(lit.)
• Refractive Index: 1.676
• Boiling Point: 230.1 °C at 760 mmHg
• PKA: 10.58±0.70(Predicted)
• Flash Point: 93 °C
• PSA: 108.19000
• Density: 1.415 g/cm³
• LogP: 0.38030
• Storage Temp.: Poison room
• Sensitive.: Light Sensitive
• Solubility.: Very slightly soluble (0.5g/100g, 25°C). Insoluble in ether.
• XLogP3: -1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 106.03131738
• Heavy Atom Count: 6
• Complexity: 45.5
• Transport DOT Label: Poison

Purity/Quality:

99% ^*data from raw suppliers

Thiocarbohydrazide >98.0%(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+
• Hazard Codes: T+
• Statements: 5-26/28-36/38-21
• Safety Statements: 28-36/37/39-45-38-36/37-28A-1

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Thiourea Compounds
• Canonical SMILES: C(=S)(NN)NN
• Recent ClinicalTrials: A Study of Pertuzumab in Combination With Herceptin and Chemotherapy in Participants With HER2-Positive Breast Cancer
• Uses: Thiocarbohydrazide is used in electron microscopy to produce electron-opaque deposits for ultra structural analysis. It is used in the synthesis of oxazine grass ketones.

Technology Process of Thiocarbohydrazide

There total 19 articles about Thiocarbohydrazide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

carbon disulfide (75-15-0,12122-00-8) → Thiocarbohydrazide (2231-57-4)

Guidance literature:

With hydrazine; In water; at 20 ℃; for 0.333333h; Green chemistry;

DOI:10.1080/00397911.2014.963876

Reference yield: 98.0%

carbon disulfide (75-15-0,12122-00-8) + hydrazine (302-01-2,78206-91-4,119775-10-9,75013-58-0) → Thiocarbohydrazide (2231-57-4)

Guidance literature:

In water; at 20 ℃; for 0.166667h; Green chemistry;

DOI:10.1080/00397911.2014.960939

Reference yield: 77.0%

→ Thiocarbohydrazide (2231-57-4)

Guidance literature:

upstream raw materials:

carbon disulfide

ethyl piperidine-1-carbodithioate

thiophosgene

O,S-Diethyl dithiocarbonate

Downstream raw materials:

1-Acetyl-3-methyl-4-acetylamino-5-thio-1,2,4-thiazolin-1,5

1,5-bis-(4-methyl-benzylidene)-thio carbonohydrazide

bis-(2-chloro-benzylidene)-thio carbonohydrazide

1,5-bis-(m-nitrobenzaldehyde) thiocarbonodihydrazone

Refernces

• 1、 Nalawade, Rekha A.,Nalawade, Avinash M.,Kamble, Ganesh S.,Anuse, Mansing A.. "Rapid, synergistic extractive spectrophotometric determination of copper(II) by using sensitive chromogenic reagent N″,N?-bis[(E)-(4-fluorophenyl) methylidene]thiocarbonohydrazide". . p. 297 - 306. Retrieved 2015.
• 2、 Siddiqi,Khan, Sadaf,Nami, Shahab A.A.,El-ajaily. "Polynuclear transition metal complexes with thiocarbohydrazide and dithiocarbamates". . p. 995 - 1002. Retrieved 2007.
• 3、 Mosa,Emara, Adel A.A.,Yousef,Saddiq. "Novel transition metal complexes of 4-hydroxy-coumarin-3- thiocarbohydrazone: Pharmacodynamic of Co(III) on rats and antimicrobial activity". . p. 35 - 43. Retrieved 2011.
• 4、 Audrieth et al.. "-". . p. 733,740. Retrieved 1954.
• 5、 Dhasarathan, Saranya,Kaliappan, Ilango,Selvaraj, Kamatchi P.,Shunmugaperumal, Selvaraj. "Multi metal ion recognizing unsymmetrical tetra dentate schiff bases associated with antifungal activity". . p. 833 - 846. Retrieved 2021/09/08.
• 6、 Chen, Mei,Chen, Ying,He, Jun,He, Ming,Li, Pu,Su, Shijun,Wang, Hua,Xue, Wei. "Synthesis and antibacterial activity of chalcone derivatives containing thioether triazole". . . Retrieved 2020/01/22.