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

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

CAS No:
80590-50-7
Formula:
C9H8ClN3S
Chemical Name:
5-(2-CHLOROPHENYL)-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
Synonyms:
5-(2-chlorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol;5-(2-chlorophenyl)-4-methyl-1,2,4-triazole-3-thiol;SCHEMBL10942013;CTK6H3234;3-(2-chlorophenyl)-4-methyl-1H-1,2,4-triazole-5-thione;DTXSID10354708;ALBB-003241;ZINC2388319;9977AE;BBL014067

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

Molecular Weight：

225.694

Exact Mass：

225.01300

DSSTox ID：

DTXSID10354708

HScode：

2933990090

Characteristics

PSA：

59.7

XLogP3：

2.42420

Density：

1.43g/cm3

Boiling Point：

306ºC at 760 mmHg

Flash Point：

138.8ºC

Refractive Index：

1.696

Safety Information

Marks：

Xi: Irritant;

Computed Properties

Molecular Weight:225.70
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:225.0127461
Monoisotopic Mass:225.0127461
Topological Polar Surface Area:59.7
Heavy Atom Count:14
Complexity:279
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Safety Information
Computed Properties

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

SDS

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