Basic information
- CAS
1713-98-0- Standard SMILES
CCCOP(=S)(CCl)Sc1ccc(Cl)cc1- InChIKey
SBZAUEKBWDRPRQ-UHFFFAOYSA-N- Molecular formula
- C10H13Cl2OPS2
- Average molar mass
- 315.2 g/mol
- Monoisotopic mass
- 313.9522498
Names & identifiers
- Preferred name
- S-(4-Chlorophenyl) O-propyl (chloromethyl)phosphonodithioate
- IUPAC
- chloromethyl-(4-chlorophenyl)sulfanyl-propoxy-sulfanylidene-λ5-phosphane
- English name
- Chloromethyldithiophosphonic acid=S-(4-chlorophenyl)=O-propyl ester
- Molecular formula
- C10H13Cl2OPS2
- Molecular weight
- 315.22
Names & synonyms
1713-98-0S-(4-Chlorophenyl) O-propyl (chloromethyl)phosphonodithioateDTXSID60937969RefChem:1098229DTXCID301366519Stauffer B-10117ENT 25,833BRN 1983665B-10117chloromethyl-(4-chlorophenyl)sulfanyl-propoxy-sulfanylidene-lambda5-phosphaneENT 25833O-Propyl-S-(p-chlorophenyl) chloromethylphosphonodithioate
Show more names
Phosphonodithioic acid, (chloromethyl)-, S-(4-chlorophenyl) O-propyl ester (9CI)
Chloromethyldithiophosphonic acid=S-(4-chlorophenyl)=O-propyl esterPhosphonodithioic acid, chloromethyl-, S-(p-chlorophenyl) O-propyl esterPhosphonodithioic acid, (chloromethyl)-, S-(4-chlorophenyl) O-propyl ester
Database identifiers
- CAS
1713-98-0- PubChem CID
- 74387
- DTXSID
DTXSID60937969- Nikkaji
- J34.637C
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 245
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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