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4-BENZYL-5-(2-CHLORO-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL

4-BENZYL-5-(2-CHLORO-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL structure

CAS No:
23282-94-2
Formula:
C15H12ClN3S
Chemical Name:
4-BENZYL-5-(2-CHLORO-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL
Synonyms:
4-Benzyl-5-(2-chloro-phenyl)-4H-[1,2,4]triazole-3-thiol;4-benzyl-5-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol;4-benzyl-5-(2-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione;MLS000662195;CHEMBL1362310;CTK8F5801;CTK8H7262;DTXSID30359553;HMS2649L09;ZINC3270871

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4-BENZYL-5-(2-CHLORO-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL Basic Attributes

Molecular Weight：

301.792

Exact Mass：

301.04400

DSSTox ID：

DTXSID30359553

HScode：

2933990090

Characteristics

PSA：

59.7

XLogP3：

3.93550

Density：

1.33g/cm3

Boiling Point：

425.8ºC at 760mmHg

Flash Point：

211.3ºC

Refractive Index：

1.683

Vapor Pressure：

1.86E-07mmHg at 25°C

Computed Properties

Molecular Weight:301.8
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:301.0440463
Monoisotopic Mass:301.0440463
Topological Polar Surface Area:59.7
Heavy Atom Count:20
Complexity:393
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-BENZYL-5-(2-CHLORO-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL

Basic Attributes
Characteristics
Computed Properties

4-BENZYL-5-(2-CHLORO-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL

SDS

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