3-Chloro-2-propenyl-N-acetyl-L-cysteine

Base Information

• Chemical Name: 3-Chloro-2-propenyl-N-acetyl-L-cysteine
• CAS No.: 72072-41-4
• Molecular Formula: C8H12 Cl N O3 S
• Molecular Weight: 237.7
• Nikkaji Number: J258.555C
• Mol file: 72072-41-4.mol

Synonyms:(trans)-isomer of N-acetyl-S-(3-chloroprop-2-enyl)cysteine;3-chloro-2-propenyl-N-acetyl-L-cysteine;ACPEC;N-acetyl-S-(3-chloroprop-2-enyl)cysteine

Chemical Property of 3-Chloro-2-propenyl-N-acetyl-L-cysteine

Chemical Property:

• Vapor Pressure: 7.41E-11mmHg at 25°C
• Boiling Point: 487.9°C at 760 mmHg
• PKA: 3.29±0.10(Predicted)
• Flash Point: 248.9°C
• PSA: 91.70000
• Density: 1.316g/cm³
• LogP: 1.45230
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 237.0226421
• Heavy Atom Count: 14
• Complexity: 233

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)NC(CSCC=CCl)C(=O)O
• Isomeric SMILES: CC(=O)N[C@@H](CSC/C=C\Cl)C(=O)O