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5-(Pyridin-4-yl)-4H-[1,2,4]triazole-3-thiol

5-(Pyridin-4-yl)-4H-[1,2,4]triazole-3-thiol structure

CAS No:
1477-24-3
Formula:
C7H6N4S
Chemical Name:
5-(Pyridin-4-yl)-4H-[1,2,4]triazole-3-thiol
Synonyms:
3H-1,2,4-Triazole-3-thione,1,2-dihydro-5-(4-pyridinyl)-;Δ2-1,2,4-Triazoline-5-thione,3-(4-pyridyl)-;s-Triazole-3-thiol,5-(4-pyridyl)-;1,2-Dihydro-5-(4-pyridinyl)-3H-1,2,4-triazole-3-thione;5-(4-Pyridyl)-1H-1,2,4-triazole-3-thiol;NSC 151062;5-(Pyridin-4-yl)-4H-[1,2,4]triazole-3-thiol;3-Mercapto-5-(4-pyridyl)-1,2,4-triazole;3-(Pyridin-4-yl)-1H-1,2,4-triazole-5(4H)-thione;5-(4-Pyridinyl)-1H-1,2,4-triazole-3-thiol;14910-06-6;32362-86-0

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5-(Pyridin-4-yl)-4H-[1,2,4]triazole-3-thiol Basic Attributes

Molecular Weight：

178.21

Exact Mass：

178.21

NSC Number：

151062

DSSTox ID：

DTXSID60163781

Characteristics

PSA：

81.4

XLogP3：

0.8

Density：

1.54

Melting Point：

321-322 °C (decomp)

Boiling Point：

296.5±32.0 °C(Predicted)

Safety Information

Hazard category：

IRRITANT

Marks：

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

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 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:178.22
XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:178.03131738
Monoisotopic Mass:178.03131738
Topological Polar Surface Area:81.4
Heavy Atom Count:12
Complexity:219
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-(Pyridin-4-yl)-4H-[1,2,4]triazole-3-thiol

Basic Attributes
Characteristics
Safety Information
Computed Properties

5-(Pyridin-4-yl)-4H-[1,2,4]triazole-3-thiol

SDS

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