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5-(Hexylthio)-1H-1,2,4-triazole

5-(Hexylthio)-1H-1,2,4-triazole structure

CAS No:
74682-60-3
Formula:
C8H15N3S
Chemical Name:
5-(Hexylthio)-1H-1,2,4-triazole
Synonyms:
1H-1,2,4-Triazole,5-(hexylthio)-;1H-1,2,4-Triazole,3-(hexylthio)-;5-(Hexylthio)-1H-1,2,4-triazole;3-Hexylthio-1,2,4-triazole;3-(Hexylsulfanyl)-4H-1,2,4-triazole;3-n-Hexylthio-1,2,4-triazole

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5-(Hexylthio)-1H-1,2,4-triazole Basic Attributes

Molecular Weight：

185.29000

Exact Mass：

185.29

EC Number：

277-967-2

UNII：

U7YR6H7SU6

DSSTox ID：

DTXSID20225657

HScode：

2933990090

Characteristics

PSA：

66.87000

XLogP3：

2.47710

Density：

1.1g/cm3

Melting Point：

65-68ºC

Boiling Point：

334.1ºC at 760 mmHg

Flash Point：

155.9ºC

Refractive Index：

1.531

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:185.29
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:185.09866866
Monoisotopic Mass:185.09866866
Topological Polar Surface Area:66.9
Heavy Atom Count:12
Complexity:111
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-(Hexylthio)-1H-1,2,4-triazole

Basic Attributes
Characteristics
Safety Information
Computed Properties

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