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5-[3,5-Bis(trifluoromethyl)phenyl]-1,2-dihydro-3H-1,2,4-triazole-3-thione

5-[3,5-Bis(trifluoromethyl)phenyl]-1,2-dihydro-3H-1,2,4-triazole-3-thione structure

CAS No:
175276-77-4
Formula:
C10H5F6N3S
Chemical Name:
5-[3,5-Bis(trifluoromethyl)phenyl]-1,2-dihydro-3H-1,2,4-triazole-3-thione
Synonyms:
3H-1,2,4-Triazole-3-thione,5-[3,5-bis(trifluoromethyl)phenyl]-1,2-dihydro-;5-[3,5-Bis(trifluoromethyl)phenyl]-1,2-dihydro-3H-1,2,4-triazole-3-thione;5-(3,5-Bis(trifluoromethyl)phenyl)-4H-1,2,4-triazole-3-thiol

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5-[3,5-Bis(trifluoromethyl)phenyl]-1,2-dihydro-3H-1,2,4-triazole-3-thione Basic Attributes

Molecular Weight：

313.22

Exact Mass：

313.22

Characteristics

PSA：

76.56000

XLogP3：

4.17190

Density：

1.66g/cm3

Melting Point：

280 °C

Boiling Point：

267.7ºC at 760mmHg

Flash Point：

115.7ºC

Refractive Index：

1.556

Safety Information

hazard class code：

36/37/38

safety instructions：

26-36/37/39

Marks：

Hazard note：

Irritant

Computed Properties

Molecular Weight:313.22
XLogP3:3.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:1
Exact Mass:313.01083732
Monoisotopic Mass:313.01083732
Topological Polar Surface Area:68.5
Heavy Atom Count:20
Complexity:408
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-[3,5-Bis(trifluoromethyl)phenyl]-1,2-dihydro-3H-1,2,4-triazole-3-thione

Basic Attributes
Characteristics
Safety Information
Computed Properties

5-[3,5-Bis(trifluoromethyl)phenyl]-1,2-dihydro-3H-1,2,4-triazole-3-thione

SDS

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