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3-(1-benzothiophen-3-yl)-4-methyl-1H-1,2,4-triazole-5-thione

3-(1-benzothiophen-3-yl)-4-methyl-1H-1,2,4-triazole-5-thione structure

CAS No:
588687-45-0
Formula:
C11H9N3S2
Chemical Name:
3-(1-benzothiophen-3-yl)-4-methyl-1H-1,2,4-triazole-5-thione

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3-(1-benzothiophen-3-yl)-4-methyl-1H-1,2,4-triazole-5-thione Basic Attributes

Molecular Weight：

247.33900

Exact Mass：

247.02378965

DSSTox ID：

DTXSID60395606

HScode：

2934999090

Characteristics

PSA：

97.75000

XLogP3：

2.98550

Density：

1.48g/cm3

Boiling Point：

375.8ºC

Flash Point：

181.1ºC

Refractive Index：

1.79

Computed Properties

Molecular Weight:247.3
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:247.02378965
Monoisotopic Mass:247.02378965
Topological Polar Surface Area:88
Heavy Atom Count:16
Complexity:342
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(1-benzothiophen-3-yl)-4-methyl-1H-1,2,4-triazole-5-thione

Basic Attributes
Characteristics
Computed Properties

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