Basic information
- CAS
70369-42-5- Standard SMILES
COP(=O)(CSc1ccccc1)OC- InChIKey
VWZHTBUEIFZPCB-UHFFFAOYSA-N- Molecular formula
- C9H13O3PS
- Average molar mass
- 232.24 g/mol
- Monoisotopic mass
- 232.03230244
Names & identifiers
- Preferred name
- Dimethoxyphosphoryl-methylsulfanyl-benzene
- IUPAC
- dimethoxyphosphorylmethylsulfanylbenzene
Names & synonyms
70369-42-5dimethoxyphosphoryl-methylsulfanyl-benzeneDTXSID80510273dimethyl (phenylsulfanyl)methylphosphonateDimethyl [(phenylsulfanyl)methyl]phosphonate
Database identifiers
- CAS
70369-42-5- PubChem CID
- 12804366
- DTXSID
DTXSID80510273
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 196
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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