Basic information
- CAS
42976-67-0- Standard SMILES
COP(O)(=S)c1ccccc1- InChIKey
KFISZMLSFAUKCR-UHFFFAOYSA-N- Molecular formula
- C7H9O2PS
- Average molar mass
- 188.19 g/mol
- Monoisotopic mass
- 188.0060877
Names & identifiers
- Preferred name
- Phosphonothioic acid, phenyl-, O-methyl ester
- IUPAC
- hydroxy-methoxy-phenyl-sulfanylidene-λ5-phosphane
- English name
- Phenyl-phosphonothioic acid methyl ester
- Molecular formula
- C7H9O2PS
- Molecular weight
- 188.18
Names & synonyms
42976-67-0PHENYL-PHOSPHONOTHIOIC ACID METHYL ESTERPhosphonothioic acid, phenyl-, O-methyl esterSCHEMBL8403701DTXSID90962820o-methyl phenylphosphonothioic acidAKOS006288382O-Methyl hydrogen phenylphosphonothioateDB-231667Phosphonothioic acid, P-phenyl-, O-methyl ester
Database identifiers
- CAS
42976-67-0- PubChem CID
- 181745
- DTXSID
DTXSID90962820- Nikkaji
- J1.119.900C
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 166
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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