Aminofenitrothion
Basic information
- CAS
13306-69-9- Standard SMILES
COP(=S)(OC)Oc1ccc(N)c(C)c1- InChIKey
MBJWTIDJKMSHDR-UHFFFAOYSA-N- Molecular formula
- C9H14NO3PS
- Average molar mass
- 247.25 g/mol
- Monoisotopic mass
- 247.04320148
Overview
structure given in first source
Names & identifiers
- Preferred name
- Aminofenitrothion
- IUPAC
- 4-dimethoxyphosphinothioyloxy-2-methylaniline
- English name
- 4-aminofenitrothion
- Molecular formula
- C9H14NO3PS
- Molecular weight
- 247.251121
Names & synonyms
AMINOFENITROTHION4-Aminofenitrothion13306-69-9O,O-dimethyl-O-(3-methyl-4-aminophenyl)phosphorothioateRefChem:97848Phosphorothioic acid, O-(4-amino-3-methylphenyl) O,O-dimethyl esterAminosumithionCCRIS 1561BRN 3055179O,O-Dimethyl-O-(3-methyl-4-aminophenyl) phosphorothioateAM-FNTSCHEMBL8976593
Show more names
DTXSID5074505Phosphorothioic acid, O-(4-amino-m-tolyl) O,O-dimethyl esterNS00067358O,O-dimethyl O-(3-methyl-4-aminophenyl) phosphoro-thioateO-(4-Amino-3-methylphenyl) O,O-dimethyl phosphorothioate
Database identifiers
- CAS
13306-69-9- PubChem CID
- 25843
- DTXSID
DTXSID5074505- Nikkaji
- J545.619C
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 85.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 244
Experimental & physicochemical properties
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- EPA Substance Registry System
- Phosphorothioic acid, O-(4-amino-3-methylphenyl) O,O-dimethyl ester (13306-69-9)
Chemistry & industry
Uses & manufacturing
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
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Related reactions
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Compound notes
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