Basic information
- CAS
71756-19-9- Standard SMILES
CCOP(=S)(OC)Oc1cc(Cl)nn1C- InChIKey
JHBHPDBCEDYRJY-UHFFFAOYSA-N- Molecular formula
- C7H12ClN2O3PS
- Average molar mass
- 270.67 g/mol
- Monoisotopic mass
- 269.9994781
Names & identifiers
- Preferred name
- Phosphorothioic acid, O-(3-chloro-1-methyl-1H-pyrazol-5-yl) O-ethyl O-methyl ester
- IUPAC
- (3-chloro-1-methylpyrazol-5-yl)oxy-ethoxy-methoxy-sulfanylidene-λ5-phosphane
Names & synonyms
71756-19-9O-(3-chloro-1-methyl-1H-pyrazol-5-yl) O-ethyl O-methyl phosphorothioateAI3-29473Phosphorothioic acid, O-(3-chloro-1-methyl-1H-pyrazol-5-yl) O-ethyl O-methyl esterDTXSID40992394Phosphorothioic acid, O-(3-chloro-1-methyl-1H-pyrazol-5-yl) O-ethyl O-methyl?ester
Database identifiers
- CAS
71756-19-9- PubChem CID
- 155669
- DTXSID
DTXSID40992394
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 77.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 258
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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