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4-ethyl-2-methyl-5-phenyl-1,2,4-triazole-3-thione

4-ethyl-2-methyl-5-phenyl-1,2,4-triazole-3-thione structure

CAS No:
114058-89-8
Formula:
C11H13N3S
Chemical Name:
4-ethyl-2-methyl-5-phenyl-1,2,4-triazole-3-thione
Synonyms:
3H-1,2,4-Triazole-3-thione,2,4-dihydro-4-ethyl-2-methyl-5-phenyl; 2,4-Dihydro-4-ethyl-2-methyl-5-phenyl-3H-1,2,4-triazole-3-thione; 3H-1,2,4-Triazole-3-thione,4-ethyl-2,4-dihydro-2-methyl-5-phenyl;

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4-ethyl-2-methyl-5-phenyl-1,2,4-triazole-3-thione Basic Attributes

Molecular Weight：

219.30600

Exact Mass：

219.08301860

DSSTox ID：

DTXSID70150642

Characteristics

PSA：

54.84000

XLogP3：

2.63800

Density：

1.17g/cm3

Boiling Point：

291.5ºC

Flash Point：

130.1ºC

Refractive Index：

1.629

Vapor Pressure：

0.00194mmHg at 25°C

Computed Properties

Molecular Weight:219.31
XLogP3:2.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:219.08301860
Monoisotopic Mass:219.08301860
Topological Polar Surface Area:50.9
Heavy Atom Count:15
Complexity:282
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-ethyl-2-methyl-5-phenyl-1,2,4-triazole-3-thione

Basic Attributes
Characteristics
Computed Properties

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