Phenylthiocarbamyl-S-ethylcysteine

Base Information

• Chemical Name: Phenylthiocarbamyl-S-ethylcysteine
• CAS No.: 118573-61-8
• Molecular Formula: C12H16 N2 O2 S2
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID80152172
• Mol file: 118573-61-8.mol

Synonyms:phenylthiocarbamyl-S-ethylcysteine;PTCSEC

Chemical Property of Phenylthiocarbamyl-S-ethylcysteine

Chemical Property:

• Vapor Pressure: 4.89E-09mmHg at 25°C
• Boiling Point: 454.1°Cat760mmHg
• Flash Point: 228.4°C
• PSA: 125.79000
• Density: 1.327g/cm³
• LogP: 2.79070
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 284.06532010
• Heavy Atom Count: 18
• Complexity: 281

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCSCC(C(=O)O)NC(=S)NC1=CC=CC=C1
• Isomeric SMILES: CCSC[C@@H](C(=O)O)NC(=S)NC1=CC=CC=C1