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Triazamate

CAT: 0013-GTR19198569-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198569-02Size:50 mg
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Description
Triazamate is a dimethylcarbamate insecticide used in research to study its mode of action and efficacy. It serves as a valuable tool for in vitro enzyme inhibition assays and in vivo investigations targeting pest insects in agricultural entomology.
CAS Number
112143-82-5
Smiles
O=C (OCC) CSC1=NC (=NN1C (=O) N (C) C) C (C) (C) C
Molecular Formula
C13H22N4O3S
Molecular Weight
314.40
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Triazamate

Triazamate is a triazole insecticide that is 1H-1,2,4-triazole which is substituted at positions 1, 3, and 5 by N,N-dimethylaminocarbonyl, tert-butyl, and (2-ethoxy-2-oxoethyl)sulfanediyl groups, respectively. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor. It is an ethyl ester, an aryl sulfide and a triazole insecticide. It derives from a hydride of a 1H-1,2,4-triazole.

CAS Number112143-82-5
PubChem CID86306
IUPAC Nameethyl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Molecular FormulaC13H22N4O3S
Molecular Weight314.41
XLogP2.7
Topological Polar Surface Area103
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count21
Formal Charge0
Complexity384
SMILES
CCOC(=O)CSC1=NC(=NN1C(=O)N(C)C)C(C)(C)C
InChI
InChI=1S/C13H22N4O3S/c1-7-20-9(18)8-21-11-14-10(13(2,3)4)15-17(11)12(19)16(5)6/h7-8H2,1-6H3
InChIKey
NKNFWVNSBIXGLL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Triazamate
CAS: 112143-82-5
CID: 86306
Formula: C13H22N4O3S
MW: 314.41
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.41
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass314.14126175
Monoisotopic Mass314.14126175
Topological Polar Surface Area103 Ų
Heavy Atom Count21
Formal Charge0
Complexity384
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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