O,O-Dimethyl O-(4-methyl-3-nitrophenyl) phosphorothioate
Basic information
- CAS
17650-80-5- Standard SMILES
COP(=S)(OC)Oc1ccc(C)c([N+](=O)[O-])c1- InChIKey
MTVIDICTBOORCX-UHFFFAOYSA-N- Molecular formula
- C9H12NO5PS
- Average molar mass
- 277.24 g/mol
- Monoisotopic mass
- 277.01738065
Names & identifiers
- Preferred name
- O,O-Dimethyl O-(4-methyl-3-nitrophenyl) phosphorothioate
- IUPAC
- dimethoxy-(4-methyl-3-nitrophenoxy)-sulfanylidene-λ5-phosphane
Names & synonyms
17650-80-5DTXSID90938803O,O-Dimethyl O-(4-methyl-3-nitrophenyl) phosphorothioateRefChem:1093510DTXCID801367324BAY 51926O,O-Dimethyl O-(3-nitro-p-tolyl) phosphorothioateBRN 2537750MTVIDICTBOORCX-UHFFFAOYSA-NPhosphorothioic acid, O,O-dimethyl O-(3-nitro-p-tolyl) esterPhosphorothioic acid, O,O-dimethyl O-(4-methyl-3-nitrophenyl) ester
Database identifiers
- CAS
17650-80-5- PubChem CID
- 205227
- DTXSID
DTXSID90938803
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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