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5-butylsulfanyl-1H-1,2,4-triazole

5-butylsulfanyl-1H-1,2,4-triazole structure

CAS No:
23988-55-8
Formula:
C6H11N3S
Chemical Name:
5-butylsulfanyl-1H-1,2,4-triazole
Synonyms:
HMS1665C01;

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5-butylsulfanyl-1H-1,2,4-triazole Basic Attributes

Molecular Weight：

157.23700

Exact Mass：

157.06736854

DSSTox ID：

DTXSID00384751

HScode：

2933990090

Characteristics

PSA：

66.87000

XLogP3：

1.69690

Density：

1.16g/cm3

Boiling Point：

310.5ºC at 760 mmHg

Flash Point：

141.6ºC

Refractive Index：

1.546

Vapor Pressure：

0.000597mmHg at 25°C

Computed Properties

Molecular Weight:157.24
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:157.06736854
Monoisotopic Mass:157.06736854
Topological Polar Surface Area:66.9
Heavy Atom Count:10
Complexity:89.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-butylsulfanyl-1H-1,2,4-triazole

Basic Attributes
Characteristics
Computed Properties

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