Benzenecarbothioic acid, 4-pentyl-, S-(4-cyanophenyl) ester

Base Information

• Chemical Name: Benzenecarbothioic acid, 4-pentyl-, S-(4-cyanophenyl) ester
• CAS No.: 64408-93-1
• Molecular Formula: C19H19 N O S
• Molecular Weight: 309.42526
• European Community (EC) Number: 264-874-7
• DSSTox Substance ID: DTXSID8070093
• Nikkaji Number: J31.511G
• Wikidata: Q81997269
• Mol file: 64408-93-1.mol

Synonyms:64408-93-1;Benzenecarbothioic acid, 4-pentyl-, S-(4-cyanophenyl) ester;S-(4-Cyanophenyl) 4-pentylthiobenzoate;SCHEMBL9095764;DTXSID8070093;EINECS 264-874-7;S-4-cyanophenyl 4-pentylthiobenzoate;(S)-(4-Cyanophenyl) 4-pentylthiobenzoate;4-Pentylthiobenzoic acid S-(4-cyanophenyl) ester;4-Pentyl-thiobenzoic acid S-(4-cyano-phenyl) ester

Chemical Property of Benzenecarbothioic acid, 4-pentyl-, S-(4-cyanophenyl) ester

Chemical Property:

• Vapor Pressure: 1.36E-08mmHg at 25°C
• Boiling Point: 458.6°C at 760 mmHg
• Flash Point: 231.2°C
• PSA: 44.76000
• Density: 1.15g/cm³
• LogP: 2.55150
• XLogP3: 6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 309.11873540
• Heavy Atom Count: 22
• Complexity: 384

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC1=CC=C(C=C1)C(=O)SC2=CC=C(C=C2)C#N