O-Ethyl S-(4-methylphenyl) (chloromethyl)phosphonodithioate
Basic information
- CAS
24441-47-2- Standard SMILES
CCOP(=S)(CCl)Sc1ccc(C)cc1- InChIKey
KSILONBFKOHCMN-UHFFFAOYSA-N- Molecular formula
- C10H14ClOPS2
- Average molar mass
- 280.8 g/mol
- Monoisotopic mass
- 279.9912221
Names & identifiers
- Preferred name
- O-Ethyl S-(4-methylphenyl) (chloromethyl)phosphonodithioate
- IUPAC
- chloromethyl-ethoxy-(4-methylphenyl)sulfanyl-sulfanylidene-λ5-phosphane
- English name
- (Chloromethyl)phosphonodithioic acid O-ethyl S-(p-tolyl) ester
- Molecular formula
- C10H14ClOPS2
- Molecular weight
- 280.77
Names & synonyms
24441-47-2DTXSID40947309O-ethyl S-(4-methylphenyl) (chloromethyl)phosphonodithioateRefChem:1093671DTXCID901375572O-Ethyl S-p-tolyl chloromethylphosphonodithioateBRN 1972065O-Ethyl-S-(p-methylphenyl) chloromethylphosphonodithioatePhosphonodithioic acid, chloromethyl-, O-ethyl S-(p-tolyl) ester(Chloromethyl)phosphonodithioic acid O-ethyl S-(p-tolyl) esterPhosphonodithioic acid, (chloromethyl)-, O-ethyl S-p-tolyl ester (7CI,8CI)
Database identifiers
- CAS
24441-47-2- PubChem CID
- 90502
- DTXSID
DTXSID40947309- Nikkaji
- J50.320G
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 229
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Compound notes
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