Basic information
- CAS
42584-99-6- Standard SMILES
COP(=S)(OC)Oc1ccc(I)cc1- InChIKey
MSCUFBYURLXCMK-UHFFFAOYSA-N- Molecular formula
- C8H10IO3PS
- Average molar mass
- 344.11 g/mol
- Monoisotopic mass
- 343.9133
Names & identifiers
- Preferred name
- Phosphorothioic acid, O-(4-iodophenyl) O,O-dimethyl ester
- IUPAC
- (4-iodophenoxy)-dimethoxy-sulfanylidene-λ5-phosphane
Names & synonyms
Phosphorothioic acid, O-(4-iodophenyl) O,O-dimethyl ester42584-99-6DTXSID60195360O-(4-Iodophenyl) O,O-dimethyl phosphorothioate
Database identifiers
- CAS
42584-99-6- PubChem CID
- 181736
- DTXSID
DTXSID60195360- Nikkaji
- J361.473E
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 59.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 211
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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