Aminoparathion

HCID 220CAS 3735-01-1
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Basic information

Standard SMILES
CCOP(=S)(OCC)Oc1ccc(N)cc1
InChIKey
XIZOTXGJXSTQDI-UHFFFAOYSA-N
Molecular formula
C10H16NO3PS
Average molar mass
261.28 g/mol
Monoisotopic mass
261.058851

Overview

Aminoparathion is an organic thiophosphate that is 4-aminophenol in which the hydroxy group is replaced by a (diethoxyphosphorothioyl)oxy group. It is a metabolite of parathion. It has a role as a human xenobiotic metabolite, a bacterial xenobiotic metabolite and an environmental contaminant. It is an organothiophosphate insecticide, an organic thiophosphate and a substituted aniline. It is functionally related to a 4-aminophenol and a parathion.

Names & identifiers

Preferred name
Aminoparathion
IUPAC
4-diethoxyphosphinothioyloxyaniline
English name
4-diethoxyphosphinothioyloxyaniline
Molecular formula
C10H16NO3PS
Molecular weight
261.28

Names & synonyms

Aminoparathion3735-01-14-diethoxyphosphinothioyloxyanilinep-AminoparathionO-(4-AMINOPHENYL) O,O-DIETHYL PHOSPHOROTHIOATEamino-parathionE 605 reducedPhosphorothioic acid, O-(4-aminophenyl) O,O-diethyl ester4-aminoparathionXW8MK6B4E6O,O-Diethyl O-(4-aminophenyl) phosphorothioateCHEBI:28055
Show more names
Thiophosphoric acid O-(4-aminophenyl)O,O-diethyl ester
DTXSID001907934-aminophenyl ethyl ethoxy(sulfanylidene)phosphoniteRefChem:112058DTXCID40113284thiophosphoric acid diethyl 4-aminophenyl esterE-605 reducedparathion aminoBRN 5543468

Database identifiers

CAS
3735-01-1
PubChem CID
220
DTXSID
DTXSID00190793
ChEBI
CHEBI:28055
UNII
XW8MK6B4E6
Nikkaji
J124.965G

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
85.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
16

Experimental & physicochemical properties

LogP · 2 items

2.60

2.6

Solubility0.39 mg/mL
Physical DescriptionSolid

Physicochemical properties

Melting point
147 · 147-149 °C
Boiling point
346.2 · 346.2±44.0 °C(Predicted)
Density
1.1577 g/cm3 · 1.1577 g/cm3
pka
3.85 · 3.85±0.10(Predicted)
FDA UNII
8 MK6B4E6 · XW8MK6B4E6
Symbol(GHS)
7 · GHS07

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Pharmacology

Cellular LocationsMembrane

Suppliers3 total

维赛诺化学技术（北京）有限公司13811761079 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
Additional notes · 1 item

DefinitionChEBI: Aminoparathion is an organic thiophosphate that is 4-aminophenol in which the hydroxy group is replaced by a (diethoxyphosphorothioyl)oxy group. It is a metabolite of parathion. It has a role as an environmental contaminant, a bacterial xenobiotic metabolite and a human xenobiotic metabolite. It is an organic thiophosphate, a substituted aniline and an organothiophosphate insecticide. It is functionally related to a 4-aminophenol and a parathion.

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