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3-methyl-4-propyl-1H-1,2,4-triazole-5-thione

3-methyl-4-propyl-1H-1,2,4-triazole-5-thione structure

CAS No:
121519-86-6
Formula:
C6H11N3S
Chemical Name:
3-methyl-4-propyl-1H-1,2,4-triazole-5-thione
Synonyms:
5-methyl-4-propyl-1,2,4-triazole-3-thiol; 5-methyl-4-propyl-4H-1,2,4-triazole-3-thiol;

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3-methyl-4-propyl-1H-1,2,4-triazole-5-thione Basic Attributes

Molecular Weight：

157.23700

Exact Mass：

157.06736854

DSSTox ID：

DTXSID60397347

HScode：

2933990090

Characteristics

PSA：

69.51000

XLogP3：

1.28520

Density：

1.23g/cm3

Boiling Point：

194.5ºC

Flash Point：

71.4ºC

Refractive Index：

1.617

Vapor Pressure：

0.44mmHg at 25°C

Computed Properties

Molecular Weight:157.24
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:157.06736854
Monoisotopic Mass:157.06736854
Topological Polar Surface Area:59.7
Heavy Atom Count:10
Complexity:176
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-methyl-4-propyl-1H-1,2,4-triazole-5-thione

Basic Attributes
Characteristics
Computed Properties

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