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3-(2-chlorophenyl)-4-phenyl-1H-1,2,4-triazole-5-thione

3-(2-chlorophenyl)-4-phenyl-1H-1,2,4-triazole-5-thione structure

CAS No:
23711-34-4
Formula:
C14H10ClN3S
Chemical Name:
3-(2-chlorophenyl)-4-phenyl-1H-1,2,4-triazole-5-thione
Synonyms:
5-(2-chlorophenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione; 5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol; 5-(2-chloro-phenyl)-4-phenyl-2,4-dihydro-[1,2,4]triazole-3-thione; 2,4-Dihydro-5-(2-chlorophenyl)-4-phenyl-3H-1,2,4-triazole-3-thione; 3H-1,2,4-Triazole-3-thione,2,4-dihydro-5-(2-chlorophenyl)-4-phenyl; 5-(2-chlorophenyl)-4-phenyl-1,2,4-triazole-3-thiol;Expand

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3-(2-chlorophenyl)-4-phenyl-1H-1,2,4-triazole-5-thione Basic Attributes

Molecular Weight：

287.76700

Exact Mass：

287.0283962 g/mol

DSSTox ID：

DTXSID40178373

HScode：

2933990090

Characteristics

PSA：

69.51000

XLogP3：

3.87640

Density：

1.36g/cm3

Boiling Point：

398.8ºC

Flash Point：

195ºC

Refractive Index：

1.699

Vapor Pressure：

1.44E-06mmHg at 25°C

Computed Properties

Molecular Weight:287.8
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:287.0283962
Monoisotopic Mass:287.0283962
Topological Polar Surface Area:59.7
Heavy Atom Count:19
Complexity:379
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(2-chlorophenyl)-4-phenyl-1H-1,2,4-triazole-5-thione

Basic Attributes
Characteristics
Computed Properties

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