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Thiabendazole-d4 (Major)

CAT: 0572-TRC-T344152-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T344152-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1190007-20-5
Synonyms
4,5,6,7-Tetradeuterio-2-(1,3-thiazol-4-yl)-1H-benzimidazole; 2-(1,3-Thiazol-4-yl)-1H-benzimidazole-4,5,6,7-d4; Thiabendazole-d4; Tiabendazole-d4; Tiabendazole-D4 (benzimidazole-4,5,6,7-D4), Thiabendazole D4 (benzimidazol 4,5,6,7 D4)
Hazard Statement
Very toxic to aquatic life; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
[2H]c1c([2H])c([2H])c2[nH]c(nc2c1[2H])c3cscn3
Molecular Formula
C10 D4 H3 N3 S
Molecular Weight
205.272
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)/i1D,2D,3D,4D
Additionnal Information
IUPAC name: 4-(4,5,6,7-tetradeuterio-1H-benzimidazol-2-yl)-1,3-thiazole
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Thiabendazole-d4
CAS Number1190007-20-5
PubChem CID45040513
IUPAC Name4-(4,5,6,7-tetradeuterio-1H-benzimidazol-2-yl)-1,3-thiazole
Molecular FormulaC10H7N3S
Molecular Weight205.27
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
[2H]C1=C(C(=C2C(=C1[2H])NC(=N2)C3=CSC=N3)[2H])[2H]
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)/i1D,2D,3D,4D
InChIKey
WJCNZQLZVWNLKY-RHQRLBAQSA-N
Chemical Structure
2D Structure
2D structure of Thiabendazole-d4
CAS: 1190007-20-5
CID: 45040513
Formula: C10H7N3S
MW: 205.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight205.27
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass205.06117539
Monoisotopic Mass205.06117539
Topological Polar Surface Area69.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity212
Isotope Atom Count4
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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