Isothioate

Base Information

• Chemical Name: Isothioate
• CAS No.: 36614-38-7
• Deprecated CAS: 39443-62-4
• Molecular Formula: C7H17 O2 P S3
• Molecular Weight: 260.39
• Hs Code.: 2930909065
• UNII: H1Z853CI1S
• DSSTox Substance ID: DTXSID9058070
• Nikkaji Number: J3.812A
• Wikidata: Q27279525
• Mol file: 36614-38-7.mol

Synonyms:ISOTHIOATE;Hosalon;Hosdon;36614-38-7;Isothionate;Hodson;Hosdon granule;Isothioate [BSI:ISO];S-2-Isopropylthioethyl O,O-dimethyl phosphorodithioate;UNII-H1Z853CI1S;H1Z853CI1S;Z-7272;Phosphorodithioic acid, S-2-(isopropylthio)ethyl O,O-dimethyl ester;Phosphorodithioic acid, O,O-dimethyl S-(2-((1-methylethyl)thio)ethyl) ester;O,O-Dimethyl-S-2-(isopropylthio)ethylphosphorodithioate;O,O-Dimethyl S-(2-((1-methylethyl)thio)ethyl) phosphorodithioate;O,O-Dimethyl S-((2-isopropylthio)ethyl) phosphorodithioate;Phosphorodithioic acid, O,O-dimethyl S-[2-[(1-methylethyl)thio]ethyl] ester;ISOTHIOATE [ISO];SCHEMBL118172;DTXSID9058070;AKOS040752130;LS-108296;Dimethyl-(isopropylthioethyl)-dithiophosphate;Dimethyl- (isopropylthioethyl)- dithiophosphate;Q27279525;O,O-Dimethyl S-((2-isopropylthio)ethyl) phosphorodithioate (8CI);O,O-Dimethyl S-(2-((1-methylethyl)thio)ethyl) phosphorodithioate (9CI);dimethoxy-(2-propan-2-ylsulfanylethylsulfanyl)-sulfanylidene-lambda5-phosphane

Chemical Property of Isothioate

Chemical Property:

• Vapor Pressure: 0.00119mmHg at 25°C
• Boiling Point: 309.2°C at 760 mmHg
• Flash Point: 140.8°C
• PSA: 110.96000
• Density: 1.199g/cm³
• LogP: 4.02910
• Water Solubility.: 97mg/L(25 oC)
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 260.01283030
• Heavy Atom Count: 13
• Complexity: 167

Purity/Quality:

99.9% ^*data from raw suppliers

ISOTHIOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 24/25
• Safety Statements: 28-36/37-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)SCCSP(=S)(OC)OC