O-Benzo(B)thien-4-yl S-propyl methylphosphonodithioate

Base Information

• Chemical Name: O-Benzo(B)thien-4-yl S-propyl methylphosphonodithioate
• CAS No.: 18729-79-8
• Molecular Formula: C12H15 O P S3
• Molecular Weight: 302.42
• DSSTox Substance ID: DTXSID50940200
• Mol file: 18729-79-8.mol

Synonyms:Mobil MC-327;MC-327;ENT 27,372;o-1-benzothiophen-3-yl s-propyl methylphosphonodithioate;O-Benzo(B)thien-4-yl S-propyl methylphosphonodithioate;DTXSID50940200

Chemical Property of O-Benzo(B)thien-4-yl S-propyl methylphosphonodithioate

Chemical Property:

• Vapor Pressure: 9.88E-07mmHg at 25°C
• Boiling Point: 415.5°Cat760mmHg
• Flash Point: 205.1°C
• PSA: 104.67000
• Density: 1.3g/cm³
• LogP: 6.01320
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 302.00226562
• Heavy Atom Count: 17
• Complexity: 298

Purity/Quality:

PHOSPHONODITHIOIC ACID, METHYL-, O-(BENZO(B)THIEN-4-YL) S-PROPYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCSP(=S)(C)OC1=CSC2=CC=CC=C21