C5H8ClNO2S

Base Information

• Chemical Name: C5H8ClNO2S
• CAS No.: 115453-71-9
• Molecular Formula: C5H8 Cl N O2 S
• Molecular Weight: 181.64
• DSSTox Substance ID: DTXSID201031361
• Mol file: 115453-71-9.mol

Synonyms:DTXSID201031361

Chemical Property of C5H8ClNO2S

Chemical Property:

• Vapor Pressure: 0.000134mmHg at 25°C
• Boiling Point: 310.4°Cat760mmHg
• Flash Point: 141.5°C
• PSA: 88.62000
• Density: 1.411g/cm³
• LogP: 1.54180
• XLogP3: -1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 180.9964274
• Heavy Atom Count: 10
• Complexity: 140

Purity/Quality:

99%min ^*data from raw suppliers

3-((2-CHLOROETHENYL)THIO)-L-ALANINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(C(=O)O)N)SC=CCl
• Isomeric SMILES: C([C@@H](C(=O)O)N)SC=CCl