(1-Methylethyl)phosphonothioic acid O-methyl O-(3-methyl-4-(methylsulfinyl)phenyl) ester

Base Information

• Chemical Name: (1-Methylethyl)phosphonothioic acid O-methyl O-(3-methyl-4-(methylsulfinyl)phenyl) ester
• CAS No.: 82980-44-7
• Molecular Formula: C12H19O3PS2
• Molecular Weight: 306.3812
• DSSTox Substance ID: DTXSID201003045
• Mol file: 82980-44-7.mol

Synonyms:Bayer 52752;BAY 52752;82980-44-7;(1-Methylethyl)phosphonothioic acid O-methyl O-(3-methyl-4-(methylsulfinyl)phenyl) ester;Phosphonothioic acid, (1-methylethyl)-, O-methyl O-(3-methyl-4-(methylsulfinyl)phenyl) ester;DTXSID201003045;LS-107165;O-[4-(Methanesulfinyl)-3-methylphenyl] O-methyl propan-2-ylphosphonothioate

Chemical Property of (1-Methylethyl)phosphonothioic acid O-methyl O-(3-methyl-4-(methylsulfinyl)phenyl) ester

Chemical Property:

• Vapor Pressure: 9.73E-07mmHg at 25°C
• Boiling Point: 415.7°Cat760mmHg
• Flash Point: 205.2°C
• PSA: 96.64000
• Density: 1.24g/cm³
• LogP: 4.99180
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 306.05132381
• Heavy Atom Count: 18
• Complexity: 346

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)OP(=S)(C(C)C)OC)S(=O)C