O-Ethyl S-(p-tolyl) phosphorothioate

Base Information

• Chemical Name: O-Ethyl S-(p-tolyl) phosphorothioate
• CAS No.: 63980-89-2
• Molecular Formula: C9H13 O3 P S
• Molecular Weight: 232.25
• DSSTox Substance ID: DTXSID60213871
• Nikkaji Number: J107.121A
• Wikidata: Q83089510
• Mol file: 63980-89-2.mol

Synonyms:63980-89-2;O-Ethyl S-(p-tolyl) phosphorothioate;Phosphorothioic acid, O-ethyl S-(p-tolyl) ester;Phosphorothioic acid, O-ethyl S-(4-methylphenyl) ester;DTXSID60213871;Phosphorothioic acid, O-ethyl S-(4-methylphenyl) ester (9CI)

Chemical Property of O-Ethyl S-(p-tolyl) phosphorothioate

Chemical Property:

• Vapor Pressure: 7.61E-06mmHg at 25°C
• Boiling Point: 361.1°C at 760 mmHg
• PKA: 1.06±0.50(Predicted)
• Flash Point: 172.2°C
• PSA: 81.64000
• Density: 1.26g/cm³
• LogP: 3.22400
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 232.03230244
• Heavy Atom Count: 14
• Complexity: 214

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(O)SC1=CC=C(C=C1)C