Basic information
- CAS
14211-01-9- Standard SMILES
COP(=S)(OC)SC(C(=O)OC(C)C)c1ccccc1- InChIKey
KZTXOHMYUXADBN-UHFFFAOYSA-N- Molecular formula
- C13H19O4PS2
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.04623843
Names & identifiers
- Preferred name
- Oms 1092
- IUPAC
- propan-2-yl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate
- English name
- Phosphorodithioic acid O,O-dimethyl S-(2-isopropoxy-2-oxo-1-phenylethyl) ester
- Molecular formula
- C13H19O4PS2
- Molecular weight
- 334.39
Names & synonyms
14211-01-9OMS 1092OMS-1092Isopropyl O,O-dimethyldithiophosphoryl-1-phenylacetateAcetic acid, mercaptophenyl-, isopropyl ester, S-ester with O,O-dimethyl phosphorodithioateM 1703Isopropyl mercaptophenylacetate, O,O-dimethyl phosphorodithioateO,O-Dimethyl S-alpha-isopropoxycarbonylbenzyl phosphorodithioateRefChem:366976propan-2-yl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetateorb1695810SCHEMBL11738490
Show more names
Benzeneacetic acid, α-[(dimethoxyphosphinothioyl)thio]-, 1-methylethyl ester
DTXSID10931356AKOS040753369Phosphorodithioic acid O,O-dimethyl S-(2-isopropoxy-2-oxo-1-phenylethyl) esterT33797Propan-2-yl [(dimethoxyphosphorothioyl)sulfanyl](phenyl)acetate
Database identifiers
- CAS
14211-01-9- PubChem CID
- 26570
- DTXSID
DTXSID10931356- Nikkaji
- J54.947I
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- Boiling point
- 388.7 · 388.7±52.0 °C(Predicted)
- Density
- 1.247 · 1.247±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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