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5-Hydroxythiabendazole

5-Hydroxythiabendazole structure

CAS No:
948-71-0
Formula:
C10H7N3OS
Chemical Name:
5-Hydroxythiabendazole
Synonyms:
1H-Benzimidazol-6-ol,2-(4-thiazolyl)-;5-Benzimidazolol,2-(4-thiazolyl)-;1H-Benzimidazol-5-ol,2-(4-thiazolyl)-;5(or 6)-Benzimidazolol,2-(4-thiazolyl)-;2-(4-Thiazolyl)-1H-benzimidazol-6-ol;5-Hydroxythiabendazole;2-(1,3-Thiazol-4-yl)-3H-benzimidazol-5-ol;2-(1,3-Thiazol-4-yl)-1H-1,3-benzodiazol-5-ol;2-(Thiazol-4-yl)-1H-benzo[d]imidazol-5-ol;2-Thiazol-4-yl-3H-benzoimidazol-5-ol
Categories:
Analytical Chemistry > Standard

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Description

Yellow Solid

5-Hydroxythiabendazole Basic Attributes

Molecular Weight：

217.25

Exact Mass：

217.25

DSSTox ID：

DTXSID90241627

HScode：

2934999090

Characteristics

PSA：

XLogP3：

2.39200

Density：

1.535g/cm3

Boiling Point：

525.6ºC at 760mmHg

Flash Point：

271.7ºC

Refractive Index：

1.783

Storage Conditions：

0-6°C

Collision Cross Section：

137.2 Å² [M+H]+ [CCS Type: TW]|145 Å² [M+H]+ [CCS Type: TW, Method: calibrated with Waters Major Mix]|156.7 Å² [M+Na]+ [CCS Type: TW, Method: calibrated with Waters Major Mix]

Safety Information

Packing level：

III

Hazard category：

Transport codes：

3077

wgk germany：

hazard class code：

22-50/53

safety instructions：

60-61

Marks：

Xn,N

Precautionary statement(s)：

P273

Hazard Statements：

H302-H400

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P301+P312, P330, P391, and P501|Aggregated GHS information provided by 40 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

Metabolism/Metabolites：

5-hydroxythiabendazole is a known human metabolite of thiabendazole.

MeSH Entry Terms：

5-hydroxythiabendazole

5-Hydroxythiabendazole Use and Manufacturing

Uses

5-Hydroxy Thiabendazole is the major metabolite of Thiabendazole

Use Classification：

Environmental transformation -> Pesticide transformation products (metabolite, successor)

Agrochemical：

5-Hydroxy-thiabendazole is a known environmental transformation product of Thiabendazole.

Computed Properties

Molecular Weight:217.25
XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:217.03098303
Monoisotopic Mass:217.03098303
Topological Polar Surface Area:90
Heavy Atom Count:15
Complexity:241
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes