Phosphonodithioic acid, chloromethyl-, S-(p-fluorophenyl) O-isopropyl ester
Basic information
- CAS
1714-03-0- Standard SMILES
CC(C)OP(=S)(CCl)Sc1ccc(F)cc1- InChIKey
ASQKPFCEZLKDDQ-UHFFFAOYSA-N- Molecular formula
- C10H13ClFOPS2
- Average molar mass
- 298.8 g/mol
- Monoisotopic mass
- 297.9818002
Names & identifiers
- Preferred name
- Phosphonodithioic acid, chloromethyl-, S-(p-fluorophenyl) O-isopropyl ester
- IUPAC
- chloromethyl-(4-fluorophenyl)sulfanyl-propan-2-yloxy-sulfanylidene-λ5-phosphane
- English name
- (Chloromethyl)phosphonodithioic acid S-(p-fluorophenyl)O-isopropyl ester
- Molecular formula
- C10H13ClFOPS2
- Molecular weight
- 298.76
Names & synonyms
1714-03-0Phosphonodithioic acid, chloromethyl-, S-(p-fluorophenyl) O-isopropyl esterRefChem:1095240(Chloromethyl)phosphonodithioic acid S-(p-fluorophenyl)O-isopropyl esterBRN 1978740O-Isopropyl-S-(p-fluorophenyl) chloromethylphosphonodithioateDTXSID40937982chloromethyl-(4-fluorophenyl)sulfanyl-propan-2-yloxy-sulfanylidene-lambda5-phosphaneS-(4-Fluorophenyl) O-(propan-2-yl) (chloromethyl)phosphonodithioateS-(4-Fluorophenyl) O-propan-2-yl (chloromethyl)phosphonodithioatePhosphonodithioic acid, (chloromethyl)-, S-(p-fluorophenyl) O-isopropyl ester (7CI,8CI)
Database identifiers
- CAS
1714-03-0- PubChem CID
- 74388
- DTXSID
DTXSID40937982- Nikkaji
- J50.321E
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 257
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Compound notes
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