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Thiabendazole

CAT: 1489-T9810-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:1489-T9810-01Size:25 g
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CAS Number
148-79-8
Purity
0.98

Chemical Information

Thiabendazole

Thiabendazole is a member of the class of benzimidazoles carrying a 1,3-thiazol-4-yl substituent at position 2. A mainly post-harvest fungicide used to control a wide range of diseases including Aspergillus, Botrytis, Cladosporium and Fusarium. It has a role as an antinematodal drug and an antifungal agrochemical. It is a member of benzimidazoles, a member of 1,3-thiazoles and a benzimidazole fungicide. It derives from a hydride of a 1H-benzimidazole.

CAS Number148-79-8
PubChem CID5430
IUPAC Name4-(1H-benzimidazol-2-yl)-1,3-thiazole
Molecular FormulaC10H7N3S
Molecular Weight201.25
XLogP2.5
Topological Polar Surface Area69.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity212
SMILES
C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3
InChI
InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)
InChIKey
WJCNZQLZVWNLKY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thiabendazole
CAS: 148-79-8
CID: 5430
Formula: C10H7N3S
MW: 201.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight201.25
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass201.03606841
Monoisotopic Mass201.03606841
Topological Polar Surface Area69.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity212
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

Alternative Products

CatalogName
A8536-1000Thiabendazole

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