Propanoic acid, 3-((chlorocarbonyl)thio)-, methyl ester

Base Information

• Chemical Name: Propanoic acid, 3-((chlorocarbonyl)thio)-, methyl ester
• CAS No.: 71850-76-5
• Molecular Formula: C5H7ClO3S
• Molecular Weight: 182.63
• DSSTox Substance ID: DTXSID4072443
• Nikkaji Number: J446.985B
• Wikidata: Q82000486
• Mol file: 71850-76-5.mol

Synonyms:71850-76-5;Propanoic acid, 3-((chlorocarbonyl)thio)-, methyl ester;Propanoic acid, 3-[(chlorocarbonyl)thio]-, methyl ester;C5H7ClO3S;C5-H7-Cl-O3-S;SCHEMBL8417277;DTXSID4072443;3-[(Chlorocarbonyl)thio]propanoic acid methyl ester;Propanoic acid,3-[(chlorocarbonyl)thio]-,methyl ester

Chemical Property of Propanoic acid, 3-((chlorocarbonyl)thio)-, methyl ester

Chemical Property:

• Vapor Pressure: 0.0522mmHg at 25°C
• Refractive Index: 1.493
• Boiling Point: 234.7 °C at 760 mmHg
• Flash Point: 95.7 °C
• PSA: 68.67000
• Density: 1.332 g/cm³
• LogP: 1.64150
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 181.9804429
• Heavy Atom Count: 10
• Complexity: 137

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCSC(=O)Cl