Tiabendazole Hydrochloride

Synopsis, Chemistry

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Also known as: Tiabendazole hydrochloride, 945-65-3, 19525-20-3, N3b9akc0t9, Benzimidazole, 2-(4-thiazolyl)-, monohydrochloride, Nsc-81948

Molecular Formula

C₁₀H₈ClN₃S

Molecular Weight

237.71 g/mol

InChI Key

XRBJCVRLNRBXHG-UHFFFAOYSA-N

FDA UNII

N3B9AKC0T9

1 2D Structure

Tiabendazole Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-(1H-benzimidazol-2-yl)-1,3-thiazole;hydrochloride

2.1.2 InChI

InChI=1S/C10H7N3S.ClH/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9;/h1-6H,(H,12,13);1H

2.1.3 InChI Key

XRBJCVRLNRBXHG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3.Cl

2.2 Other Identifiers

2.2.1 UNII

N3B9AKC0T9

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Tiabendazole Hydrochloride

2. 945-65-3

3. 19525-20-3

4. N3b9akc0t9

5. Benzimidazole, 2-(4-thiazolyl)-, Monohydrochloride

6. Nsc-81948

7. 4-(1h-benzimidazol-2-yl)-1,3-thiazole;hydrochloride

8. 1h-benzimidazole, 2-(4-thiazolyl)-, Hydrochloride (1:1)

9. Mk 360 Hydrochloride

10. Einecs 243-132-6

11. Unii-n3b9akc0t9

12. 2-(4-thiazolyl)benzimidazole Hydrochloride

13. Benzimidazole, 2-(4-thiazolyl)-, Hydrochloride

14. Mintezol Hydrochloride

15. Schembl2314460

16. Dtxsid10941293

17. Nsc81948

18. Nsc 81948

19. 2-(4-thiazolyl)benzimidazole Monohydrochloride

20. 2-(1,3-thiazol-4-yl)-1h-benzimidazole Hydrochloride

21. Q27284505

22. 2-(1,3-thiazol-4-yl)-1h-benzo[d]imidazole Hydrochloride

23. 2-(1,3-thiazol-4-yl)-1h-benzimidazole--hydrogen Chloride (1/1)

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₈ClN₃S
Molecular Weight	237.71 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	237.0127461 g/mol
Monoisotopic Mass	237.0127461 g/mol
Topological Polar Surface Area	69.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	212
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2