3-(Dodecylcarbamothioylsulfanyl)propanoic acid

Base Information

• Chemical Name: 3-(Dodecylcarbamothioylsulfanyl)propanoic acid
• CAS No.: 6317-13-1
• Molecular Formula: C16H31 N O2 S2
• Molecular Weight: 333.55
• NSC Number: 40457
• DSSTox Substance ID: DTXSID10391158
• Mol file: 6317-13-1.mol

Synonyms:6317-13-1;3-(dodecylcarbamothioylsulfanyl)propanoic acid;NSC40457;3-(dodecylthiocarbamoylsulfanyl)propanoic acid;DTXSID10391158;NSC-40457

Chemical Property of 3-(Dodecylcarbamothioylsulfanyl)propanoic acid

Chemical Property:

• Vapor Pressure: 9.15E-10mmHg at 25°C
• Boiling Point: 460.7°C at 760 mmHg
• Flash Point: 232.4°C
• PSA: 106.72000
• Density: 1.058g/cm³
• LogP: 5.38060
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 15
• Exact Mass: 333.17962158
• Heavy Atom Count: 21
• Complexity: 273

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCNC(=S)SCCC(=O)O