Acetyl isothiouronium chloride

Base Information

• Chemical Name: Acetyl isothiouronium chloride
• CAS No.: 63679-61-8
• Molecular Formula: C3H7ClN2OS
• Molecular Weight: 154.62
• DSSTox Substance ID: DTXSID00979904
• Mol file: 63679-61-8.mol

Synonyms:63679-61-8;Acetyl isothiouronium chloride;USAF B-101;Pseudourea, 2-acetyl-2-thio-, hydrochloride;SCHEMBL10393319;DTXSID00979904;A1757;Acetyl carbamimidothioate--hydrogen chloride (1/1)

Chemical Property of Acetyl isothiouronium chloride

Chemical Property:

• Vapor Pressure: 0.257mmHg at 25°C
• Boiling Point: 204.9°C at 760 mmHg
• Flash Point: 77.7°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 153.9967617
• Heavy Atom Count: 8
• Complexity: 101

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)SC(=N)N.Cl

Technology Process of Acetyl isothiouronium chloride

There total 1 articles about Acetyl isothiouronium chloride 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: 91.0%

acetyl chloride (75-36-5) + thiourea (17356-08-0) → S-Acetylisothiouronium chloride (63679-61-8)

Guidance literature:

In acetone;

Reference yield:

pyridine (110-86-1) + S-Acetylisothiouronium chloride (63679-61-8) → acetylthiourea (591-08-2)

Guidance literature:

at 25 ℃;

Reference yield:

sodium acetate (127-09-3) + S-Acetylisothiouronium chloride (63679-61-8) → acetylthiourea (591-08-2)

Guidance literature:

at 25 ℃;

upstream raw materials:

acetyl chloride

thiourea

Downstream raw materials:

acetylthiourea

Acetanilid