3-(4-Butoxyphenyl)propanethioamide

Base Information

• Chemical Name: 3-(4-Butoxyphenyl)propanethioamide
• CAS No.: 89790-06-7
• Molecular Formula: C13H19 N O S
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID201008976
• Mol file: 89790-06-7.mol

Synonyms:3-(4-butoxyphenyl)propyl thioamide;BOPPT

Chemical Property of 3-(4-Butoxyphenyl)propanethioamide

Chemical Property:

• Vapor Pressure: 6.59E-06mmHg at 25°C
• Boiling Point: 377.8°C at 760 mmHg
• Flash Point: 182.3°C
• PSA: 46.56000
• Density: 1.074g/cm³
• LogP: 4.49850
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 237.11873540
• Heavy Atom Count: 16
• Complexity: 200

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC1=CC=C(C=C1)CCC(=S)N