Phosphonodithioic acid, chloromethyl-, S-(p-chlorophenyl) O-isopropyl ester
Basic information
- CAS
1713-97-9- Standard SMILES
CC(C)OP(=S)(CCl)Sc1ccc(Cl)cc1- InChIKey
WFQFIEFLHILPBF-UHFFFAOYSA-N- Molecular formula
- C10H13Cl2OPS2
- Average molar mass
- 315.2 g/mol
- Monoisotopic mass
- 313.9522498
Names & identifiers
- Preferred name
- Phosphonodithioic acid, chloromethyl-, S-(p-chlorophenyl) O-isopropyl ester
- IUPAC
- chloromethyl-(4-chlorophenyl)sulfanyl-propan-2-yloxy-sulfanylidene-λ5-phosphane
- English name
- (Chloromethyl)phosphonodithioic acid S-(4-chlorophenyl)O-(1-methylethyl) ester
- Molecular weight
- 0
Names & synonyms
1713-97-9Phosphonodithioic acid, chloromethyl-, S-(p-chlorophenyl) O-isopropyl esterRefChem:1095239B 10046BRN 1978960AI3-25831O-Isopropyl-S-(p-chlorophenyl) chloromethylphosphonodithioate(Chloromethyl)phosphonodithioic acid S-(4-chlorophenyl)O-(1-methylethyl) esterPhosphonodithioic acid, (chloromethyl)-, S-(4-chlorophenyl) O-(1-methylethyl) esterSCHEMBL30587041DTXSID00937968chloromethyl-(4-chlorophenyl)sulfanyl-propan-2-yloxy-sulfanylidene-lambda5-phosphane
Show more names
S-(4-Chlorophenyl) O-(propan-2-yl) (chloromethyl)phosphonodithioateS-(4-chlorophenyl) O-propan-2-yl (chloromethyl)phosphonodithioate(Chloromethyl)phosphonodithioic acid S-(4-chlorophenyl) O-(1-methylethyl) ester
Database identifiers
- CAS
1713-97-9- PubChem CID
- 74386
- DTXSID
DTXSID00937968- Nikkaji
- J50.319C
Properties
Computed structural properties
- XLogP
- 5.3
- 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
- 255
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Related reactions
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Compound notes
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