Butathiofos

HCID 185020
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Basic information

CAS
90338-20-8
Standard SMILES
CCOP(=S)(OCC)Oc1cnc(C(C)(C)C)nc1
InChIKey
YMTQHWMPGDSBOD-UHFFFAOYSA-N
Molecular formula
C12H21N2O3PS
Average molar mass
304.35 g/mol
Monoisotopic mass
304.10105016

Names & identifiers

Preferred name
Butathiofos
IUPAC
(2-tert-butylpyrimidin-5-yl)oxy-diethoxy-sulfanylidene-λ5-phosphane
English name
diethoxy-sulfanylidene-(2-tert-butylpyrimidin-5-yl)oxy-phosphorane
Molecular formula
C12H21N2O3PS
Molecular weight
304.35

Names & synonyms

Butathiofos90338-20-8Butathiofos [ISO]BUTAFOSBUTATHIOPHOSGSU822413MDOWCO-429UNII-GSU822413MDTXSID4034817XRD-429Phosphorothioic acid, O-(2-(1,1-dimethylethyl)-5-pyrimidinyl) O,O-diethyl esterO-2-TERT-BUTYLPYRIMIDIN-5-YL O,O-DIETHYL PHOSPHOROTHIOATE
Show more names
diethoxy-sulfanylidene-(2-tert-butylpyrimidin-5-yl)oxy-phosphoraneO,O-diethyl O-(2(1,1-dimethylethyl)-5-pyrimidinyl) phosphorothioatePhosphorothioic acid, O-[2-(1,1-dimethylethyl)-5-pyrimidinyl] O,O-diethyl ester
O-(2-(1,1-DIMETHYLETHYL)-5-PYRIMIDINYL) O,O-DIETHYL PHOSPHOROTHIOATERefChem:122131DTXCID2014817(2-tert-butylpyrimidin-5-yl)oxy-diethoxy-sulfanylidene-lambda5-phosphaneSCHEMBL116704YMTQHWMPGDSBOD-UHFFFAOYSA-NNS00126971Q27279261

Database identifiers

CAS
90338-20-8
PubChem CID
185020
DTXSID
DTXSID4034817
UNII
GSU822413M

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
85.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
19

Physicochemical properties

Boiling point
347.7 · 347.7±34.0 °C(Predicted)
Density
1.166 · 1.166±0.06 g/cm3(Predicted)
pka
0.48 · 0.48±0.22(Predicted)
FDA UNII
822413 M · GSU822413M
EPA Substance Registry System
Butathiofos (90338-20-8)

Chemistry & industry

Applications · 1 item

DescriptionButathiofos is a organophosphate insecticide. It has a modrate aqueous solubility and is highly volatile. Very little data is available regarding its environmental fate or ecotoxicology. It is highly toxic to humans if ingested. Butathiofos is also an acetyl cholinesterase inhibitor and neurotoxin.

Related reactions

3 records
New reaction record

Compound notes

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