Basic information
- CAS
7533-79-1- Standard SMILES
CCOP(=S)(OCC)Oc1cc(Cl)c(I)cc1Cl- InChIKey
GXEPRTHEHNIAKD-UHFFFAOYSA-N- Molecular formula
- C10H12Cl2IO3PS
- Average molar mass
- 441.05 g/mol
- Monoisotopic mass
- 439.86666
Names & identifiers
- Preferred name
- Phosphorothioic acid, O-(2,5-dichloro-4-iodophenyl) O,O-diethyl ester
- IUPAC
- (2,5-dichloro-4-iodophenoxy)-diethoxy-sulfanylidene-λ5-phosphane
Names & synonyms
Phosphorothioic acid, O-(2,5-dichloro-4-iodophenyl) O,O-diethyl ester7533-79-1DTXSID70226290RefChem:1095501DTXCID70148781Ciba C 8874O-(2,5-Dichloro-4-iodophenyl) O,O-diethyl phosphorothioateCiba 8874OMS 1210BRN 1888973AI3-27409C 8874
Show more names
SCHEMBL27766412GXEPRTHEHNIAKD-UHFFFAOYSA-N
Database identifiers
- CAS
7533-79-1- PubChem CID
- 197876
- DTXSID
DTXSID70226290- Nikkaji
- J1.600.058B
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 59.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 301
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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