Phosphoramidothioic acid, ethyl-, O-(2-chloro-4-(methylthio)phenyl) O-methyl ester
Basic information
- CAS
54381-26-9- Standard SMILES
CCNP(=S)(OC)Oc1ccc(SC)cc1Cl- InChIKey
KHHCRIPDPIOVAF-UHFFFAOYSA-N- Molecular formula
- C10H15ClNO2PS2
- Average molar mass
- 311.8 g/mol
- Monoisotopic mass
- 310.9970358
Names & identifiers
- Preferred name
- Phosphoramidothioic acid, ethyl-, O-(2-chloro-4-(methylthio)phenyl) O-methyl ester
- IUPAC
- N-[(2-chloro-4-methylsulfanylphenoxy)-methoxyphosphinothioyl]ethanamine
- English name
- Amidothioate
- Molecular formula
- C10H15ClNO2PS2
- Molecular weight
- 311.79
Names & synonyms
MitemateBRN 214330154381-26-9Ethyl phosphoramidothioic acid O-(2-chloro-4-(methylthio)phenyl) O-methyl esterPhosphoramidothioic acid, ethyl-, O-(2-chloro-4-(methylthio)phenyl) O-methyl esterRefChem:370828SCHEMBL29683565DTXSID30969494KHHCRIPDPIOVAF-UHFFFAOYSA-NO-[2-Chloro-4-(methylsulfanyl)phenyl] O-methyl N-ethylphosphoramidothioateAmidothioateAmidothionate
Show more names
N-Ethylphosphoramidothioic acid O-[2-chloro-4-(methylthio)phenyl] O-methylN-Ethylamidothiophosphoric acid O-[2-chloro-4-(methylthio)phenyl]O-methyl esterPhosphoramidothioic acid, N-ethyl-, O-(2-chloro-4-(methylthio)phenyl) O-methyl ester
Database identifiers
- CAS
54381-26-9- PubChem CID
- 108583
- DTXSID
DTXSID30969494- Nikkaji
- J3.518A
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 87.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 283
Physicochemical properties
- Boiling point
- 376.9 · 376.9±52.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- -0.45 · -0.45±0.70(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H300: Fatal if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Hazard information
Hazard Classes and CategoriesAcute toxicity (Oral) - Category 2
Chemistry & industry
Applications
DescriptionAmidothioate is an obsolete insecticide. Little is known about its chemical properties, environmental fate or its toxicity to humans or biodiversity.
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Compound notes
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