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Tebupirimfos

CAT: 1596-AR-T04107-05Size: 150Dry Ice: NoHazardous: No
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CAT#:1596-AR-T04107-05Size:150
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CAS Number
96182-53-5
Molecular Formula
C13H23N2O3PS
Molecular Weight
318.37
API Name
Tebupirimfos

Chemical Information

Tebupirimfos

Tebupirimfos is an organothiophosphate insecticide and an organic thiophosphate. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor. It is functionally related to a 2-tert-butylpyrimidin-5-ol.

CAS Number96182-53-5
PubChem CID93516
IUPAC Name(2-tert-butylpyrimidin-5-yl)oxy-ethoxy-propan-2-yloxy-sulfanylidene-lambda5-phosphane
Molecular FormulaC13H23N2O3PS
Molecular Weight318.37
XLogP4.2
Topological Polar Surface Area85.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count20
Formal Charge0
Complexity339
SMILES
CCOP(=S)(OC1=CN=C(N=C1)C(C)(C)C)OC(C)C
InChI
InChI=1S/C13H23N2O3PS/c1-7-16-19(20,17-10(2)3)18-11-8-14-12(15-9-11)13(4,5)6/h8-10H,7H2,1-6H3
InChIKey
AWYOMXWDGWUJHS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tebupirimfos
CAS: 96182-53-5
CID: 93516
Formula: C13H23N2O3PS
MW: 318.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight318.37
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass318.11670077
Monoisotopic Mass318.11670077
Topological Polar Surface Area85.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity339
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
sc-474973Tebupirimfos
sc-473432Tebupirimfos-d7

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