S-(5-benzamidopentyl) benzenecarbothioate

Base Information

• Chemical Name: S-(5-benzamidopentyl) benzenecarbothioate
• CAS No.: 30771-96-1
• Molecular Formula: C19H21 N O2 S
• Molecular Weight: 327.4405
• NSC Number: 193492
• DSSTox Substance ID: DTXSID00307622
• Wikidata: Q82055085
• Mol file: 30771-96-1.mol

Synonyms:30771-96-1;S-(5-benzamidopentyl) benzenecarbothioate;NSC193492;DTXSID00307622;NSC-193492

Chemical Property of S-(5-benzamidopentyl) benzenecarbothioate

Chemical Property:

• Vapor Pressure: 3.29E-11mmHg at 25°C
• Boiling Point: 527.3°Cat760mmHg
• Flash Point: 272.7°C
• Density: 1.146g/cm³
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 327.12930009
• Heavy Atom Count: 23
• Complexity: 360

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)NCCCCCSC(=O)C2=CC=CC=C2

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