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4-[2-(TRIFLUOROMETHYL)PHENYL]-4H-1,2,4-TRIAZOLE-3-THIOL

4-[2-(TRIFLUOROMETHYL)PHENYL]-4H-1,2,4-TRIAZOLE-3-THIOL structure

CAS No:
306936-80-1
Formula:
C9H6F3N3S
Chemical Name:
4-[2-(TRIFLUOROMETHYL)PHENYL]-4H-1,2,4-TRIAZOLE-3-THIOL
Synonyms:
4-[2-(TRIFLUOROMETHYL)PHENYL]-4H-1,2,4-TRIAZOLE-3-THIOL;4H-1,2,4-triazole-3-thiol, 4-[2-(trifluoromethyl)phenyl]-;4-[2-(trifluoromethyl)phenyl]-2H-1,2,4-triazole-3-thione;IVK/4021333;Maybridge1_008693;ZINC00127821;3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-[2-(trifluoromethyl)phenyl]-

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4-[2-(TRIFLUOROMETHYL)PHENYL]-4H-1,2,4-TRIAZOLE-3-THIOL Basic Attributes

Molecular Weight：

245.22

Exact Mass：

245.02345286

DSSTox ID：

DTXSID80380635

Characteristics

Density：

1.50±0.1 g/cm3

Boiling Point：

271.7±50.0 °C(Predicted)

PKA：

7.78±0.20

Safety Information

Hazard category：

IRRITANT

Computed Properties

Molecular Weight:245.23
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:245.02345286
Monoisotopic Mass:245.02345286
Topological Polar Surface Area:59.7
Heavy Atom Count:16
Complexity:316
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[2-(TRIFLUOROMETHYL)PHENYL]-4H-1,2,4-TRIAZOLE-3-THIOL

Basic Attributes
Characteristics
Safety Information
Computed Properties

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