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5-(trifluoromethyl)-1,3-dihydrobenzimidazole-2-thione

5-(trifluoromethyl)-1,3-dihydrobenzimidazole-2-thione structure

CAS No:
86604-73-1
Formula:
C8H5F3N2S
Chemical Name:
5-(trifluoromethyl)-1,3-dihydrobenzimidazole-2-thione
Synonyms:
2-mercapto-5-trifluoromethyl-1H-benzimidazole; 5-trifluoromethyl-2-mercaptobenzimidazole;

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5-(trifluoromethyl)-1,3-dihydrobenzimidazole-2-thione Basic Attributes

Molecular Weight：

218.19900

Exact Mass：

218.01255383

DSSTox ID：

DTXSID00369482

HScode：

2933990090

Characteristics

PSA：

63.67000

XLogP3：

3.24430

Density：

1.55g/cm3

Melting Point：

277ºC

Boiling Point：

263.7ºC

Flash Point：

113.3ºC

Refractive Index：

1.612

Safety Information

GHS Classification：

|Danger|H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:218.20
XLogP3:2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Exact Mass:218.01255383
Monoisotopic Mass:218.01255383
Topological Polar Surface Area:56.2
Heavy Atom Count:14
Complexity:254
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-(trifluoromethyl)-1,3-dihydrobenzimidazole-2-thione

Basic Attributes
Characteristics
Safety Information
Computed Properties

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