4-Chlorobenzyl carbamimidothioate hcl

Base Information

• Chemical Name: 4-Chlorobenzyl carbamimidothioate hcl
• CAS No.: 544-47-8
• Molecular Formula: C8H9 Cl N2 S . Cl H
• Molecular Weight: 237.153
• Hs Code.: 2930909090
• Mol file: 544-47-8.mol

Synonyms:C8H9ClN2S.ClH;C8-H9-Cl-N2-S.Cl-H;SCHEMBL9627523;AKOS023093358;[(4-CHLOROPHENYL)METHYL](DIAMINOMETHYLIDENE)-??-SULFANYLIUM CHLORIDE;[AMINO({[(4-CHLOROPHENYL)METHYL]SULFANYL})METHYLIDENE]AZANIUM CHLORIDE

Chemical Property of 4-Chlorobenzyl carbamimidothioate hcl

Chemical Property:

• Vapor Pressure: 0.000423mmHg at 25°C
• Melting Point: 200-202°C
• Refractive Index: 1.6300 (estimate)
• Boiling Point: 315.9°Cat760mmHg
• Flash Point: 144.9°C
• PSA: 75.17000
• Density: g/cm³
• LogP: 4.06870
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 235.9941749
• Heavy Atom Count: 13
• Complexity: 150

Purity/Quality:

99% ^*data from raw suppliers

S-(4-Chlorobenzyl)thiuroniumChloride ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CSC(=[NH2+])N)Cl.[Cl-]
• Uses: Identification of organic acids.

Technology Process of 4-Chlorobenzyl carbamimidothioate hcl

There total 5 articles about 4-Chlorobenzyl carbamimidothioate hcl 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: 87.0%

→ S-(4-chlorobenzyl)isothiourea hydrochloride (544-47-8)

Guidance literature:

Reference yield: 85.0%

1-Chloro-4-(chloromethyl)benzene (104-83-6) + thiourea (17356-08-0) → S-(4-chlorobenzyl)isothiourea hydrochloride (544-47-8)

Guidance literature:

In ethanol; for 4h; Heating;

DOI:10.1002/jps.2600730321

Reference yield:

thiourea (17356-08-0) + para-Chlorobenzyl alcohol (873-76-7) → S-(4-chlorobenzyl)isothiourea hydrochloride (544-47-8)

Guidance literature:

With hydrogenchloride; In water; for 168h; Heating;

DOI:10.1021/ja00258a036

upstream raw materials:

1-Chloro-4-(chloromethyl)benzene

thiourea

para-Chlorobenzyl alcohol

MA⁽¹³²⁾C₀₀₄₃

Downstream raw materials:

N-{2-[(4-chlorobenzyl)sulfanyl]-6-oxo-1,6-dihydropyrimidin-5-yl}benzamide

N-{2-[(4-chlorobenzyl)sulfanyl]-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl}benzamide

C₁₅H₁₄ClN₃S₂

5-chloro-3-(4-chlorobenzylthio)-1,2,4-thiadiazole

Refernces

• 1、 Fang, Sen-Biao,Li, Hui-Jing,Nan, Xiang,Wu, Rui,Wu, Yan-Chao,Zhang, Jing,Zhang, Zhi-Zhou. "Design, synthesis and biological evaluation of novel N-sulfonylamidine-based derivatives as c-Met inhibitors via Cu-catalyzed three-component reaction". . . Retrieved 2020/06/04.
• 2、 Buss, Jackson A.,Baidin, Vadim,Welsh, Michael A.,Flores-Kim, Josué,Cho, Hongbaek,McKay Wood,Uehara, Tsuyoshi,Walker, Suzanne,Kahne, Daniel,Bernhardta, Thomas G.. "Pathway-directed screen for inhibitors of the bacterial cell elongation machinery". . . Retrieved 2019/01/04.