Ethanol, 2-mercapto-, 1-propanoate

Base Information

• Chemical Name: Ethanol, 2-mercapto-, 1-propanoate
• CAS No.: 70892-79-4
• Molecular Formula: C5H10O2S
• Molecular Weight: 134.2
• European Community (EC) Number: 615-195-3
• DSSTox Substance ID: DTXSID20887754
• Nikkaji Number: J446.613F
• Wikidata: Q82867002
• Mol file: 70892-79-4.mol

Synonyms:Ethanol, 2-mercapto-, 1-propanoate;2-Mercaptoethyl propanoate;70892-79-4;SCHEMBL720722;DTXSID20887754;Propanoic acid 2-mercaptoethyl ester

Chemical Property of Ethanol, 2-mercapto-, 1-propanoate

Chemical Property:

• Vapor Pressure: 0.984mmHg at 25°C
• Boiling Point: 178.6°C at 760 mmHg
• Flash Point: 66.5°C
• PSA: 65.10000
• Density: 1.043g/cm³
• LogP: 0.86940
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 134.04015073
• Heavy Atom Count: 8
• Complexity: 72.8

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)OCCS