Phosphorothioic acid, O-(4-chloro-5-phenyl-3-isoxazolyl) O,O-diethyl ester
Basic information
- CAS
32306-22-2- Standard SMILES
CCOP(=S)(OCC)Oc1noc(-c2ccccc2)c1Cl- InChIKey
VZPJAVWCVPDIBM-UHFFFAOYSA-N- Molecular formula
- C13H15ClNO4PS
- Average molar mass
- 347.75 g/mol
- Monoisotopic mass
- 347.0147938
Names & identifiers
- Preferred name
- Phosphorothioic acid, O-(4-chloro-5-phenyl-3-isoxazolyl) O,O-diethyl ester
- IUPAC
- (4-chloro-5-phenyl-1,2-oxazol-3-yl)oxy-diethoxy-sulfanylidene-λ5-phosphane
- English name
- Phosphorothioic acid, O-(4-chloro-5-phenyl-3-isoxazolyl) O,O-diethyl e ster
- Molecular formula
- C13H15ClNO4PS
- Molecular weight
- 347.75
Names & synonyms
32306-22-2Phosphorothioic acid, O-(4-chloro-5-phenyl-3-isoxazolyl) O,O-diethyl esterRefChem:1095510O-(4-Chloro-5-phenyl-3-isoxazolyl) O,O-diethyl phosphorothioateo-(4-chloro-5-phenyl-1,2-oxazol-3-yl) o,o-diethyl phosphorothioateDTXSID60954111Phosphorothioic acid, O-(4-chloro-5-phenyl-3-isoxazolyl) O,O-diethyl e sterPhosphorothioic acid, O-(4-chloro-5-phenyl-3-isoxazolyl) O,O-diethyl ester (8CI)
Database identifiers
- CAS
32306-22-2- PubChem CID
- 208501
- DTXSID
DTXSID60954111
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 85.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 360
Physicochemical properties
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2934999090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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