Basic information
- CAS
5114-37-4- Standard SMILES
Cc1ccc(SP(=S)(CCl)OC(C)C)cc1- InChIKey
BFPLZFFHPDTDIC-UHFFFAOYSA-N- Molecular formula
- C11H16ClOPS2
- Average molar mass
- 294.8 g/mol
- Monoisotopic mass
- 294.0068722
Names & identifiers
- Preferred name
- Phosphonodithioic acid, chloromethyl-, O-isopropyl S-(p-tolyl) ester
- IUPAC
- chloromethyl-(4-methylphenyl)sulfanyl-propan-2-yloxy-sulfanylidene-λ5-phosphane
- English name
- (Chloromethyl)phosphonodithioic acid O-isopropyl S-(p-tolyl) ester
- Molecular formula
- C11H16ClOPS2
- Molecular weight
- 294.8
Names & synonyms
5114-37-4Phosphonodithioic acid, chloromethyl-, O-isopropyl S-(p-tolyl) esterRefChem:1095237Stauffer B-10119Chloromethylphosphonodithioic acid O-isopropyl S-(p-tolyl) esterBRN 1973846AI3-25834B 10119Phosphonodithioic acid, (chloromethyl)-, O-(1-methylethyl) S-(4-methylphenyl) esterDTXSID30965416S-(4-Methylphenyl) O-(propan-2-yl) (chloromethyl)phosphonodithioateS-(4-Methylphenyl) O-propan-2-yl (chloromethyl)phosphonodithioate
Show more names
B-10119Chloromethylphosphonodithioic acid O-isopropyl S-p-tolyl ester(Chloromethyl)phosphonodithioic acid O-isopropyl S-(p-tolyl) esterPhosphonodithioic acid, (chloromethyl)-, O-(1-methylethyl) S-(4-methylphenyl) ester (9CI)
Phosphonodithioic acid, P-(chloromethyl)-, O-(1-methylethyl) S-(4-methylphenyl) ester
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Boiling point
- 367.1 · 367.1±52.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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