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5-(4-CHLOROPHENYL)-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL

5-(4-CHLOROPHENYL)-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL structure

CAS No:
41401-15-4
Formula:
C15H12ClN3S
Chemical Name:
5-(4-CHLOROPHENYL)-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
Synonyms:
5-(4-chlorophenyl)-4-(4-methylphenyl)-4h-1,2,4-triazole-3-thiol;5-(4-Chloro-phenyl)-4-p-tolyl-4H-[1,2,4]triazole-3-thiol;5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazole-3-thiol;5-(4-CHLORO-PHENYL)-4-P-TOLYL-4H-(1,2,4)TRIAZOLE-3-THIOL;MLS001212138;CHEMBL1560693;CTK8F6461;DTXSID60354137;HMS2822A20;N-(1-NAPHTHYL)MALEAMICACID

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5-(4-CHLOROPHENYL)-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL Basic Attributes

Molecular Weight：

301.792

Exact Mass：

301.04400

DSSTox ID：

DTXSID60354137

HScode：

2933990090

Characteristics

PSA：

59.7

XLogP3：

4.18480

Density：

1.33g/cm3

Boiling Point：

419.8ºC at 760mmHg

Flash Point：

207.7ºC

Refractive Index：

1.684

Water Solubility：

1.6 [ug/mL]

Computed Properties

Molecular Weight:301.8
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:301.0440463
Monoisotopic Mass:301.0440463
Topological Polar Surface Area:59.7
Heavy Atom Count:20
Complexity:396
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-(4-CHLOROPHENYL)-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL

Basic Attributes
Characteristics
Computed Properties

5-(4-CHLOROPHENYL)-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL

SDS

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