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3-Mercapto-1,2,4-triazole

3-Mercapto-1,2,4-triazole structure

CAS No:
3179-31-5
Formula:
C2H3N3S
Chemical Name:
3-Mercapto-1,2,4-triazole
Synonyms:
3H-1,2,4-Triazole-3-thione,1,2-dihydro-;s-Triazole-3-thiol;Δ2-1,2,4-Triazoline-5-thione;1,2-Dihydro-3H-1,2,4-triazole-3-thione;4H-1,2,4-Triazole-3-thiol;1,2,4-Triazole-3-thiol;5-Mercapto-1,3,4-triazole;ENT 61291;3-Mercapto-1,2,4-triazole;1,3,4-Triazole-2-thiol;1,2,4-Triazole-5-thiol;1H-1,2,4-Triazole-3-thiol;2-Mercapto-1,3,4-triazole;3(5)-Mercapto-1,2,4-triazole;3-Mercapto-4H-1,2,4-triazole;2-Mercapto-1,3,5-triazole;3-Mercapto-s-triazole;1,2,4-triazole-3(5)-thiol;3-MT;3-Mercapto-1H-1,2,4-triazole;NSC 97089;1H-1,2,4-Triazole-5-thiol;2H-1,2,4-Triazole-3-thiol;(4H)-1,2,4-Triazole-2-thiol;1H-1,2,4-Triazole-5(4H)-thione;1,2,4-1H-Triazole-3-thiol;1,2-Dihydro-1,2,4-triazole-3-thione;2,4-Dihydro-[1,2,4]triazole-3-thione;7271-43-4;17357-98-1;51099-88-8
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Description

WHITE TO SLIGHTLY YELLOW FINE CRYSTALLINE POWDER

3-Mercapto-1,2,4-triazole Basic Attributes

Molecular Weight：

101.130

Exact Mass：

101.13

EC Number：

221-656-6

UNII：

RUS62L885R

NSC Number：

97089

DSSTox ID：

DTXSID0062894

HScode：

2933990090

Characteristics

PSA：

80.37000

XLogP3：

-0.2

Appearance：

white solid with a stench

Density：

1.5±0.1 g/cm3

Melting Point：

216 °C @ Solvent: Water

Boiling Point：

275.8±23.0 °C at 760 mmHg

Flash Point：

120.6±22.6 °C

Refractive Index：

1.673

Water Solubility：

Soluble in hot water.

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Safety Information

wgk germany：

hazard class code：

R22;R36

safety instructions：

S26-S33-S39-S7/8

RTECS Number：

XZ5267500

Marks：

Xi:Irritant;

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (96.2%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501|Aggregated GHS information provided by 85 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1,2,4-triazolethione

3-Mercapto-1,2,4-triazole Use and Manufacturing

Manufacturing Info：

3H-1,2,4-Triazole-3-thione, 1,2-dihydro-: ACTIVE

Computed Properties

Molecular Weight:101.13
XLogP3:-0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Exact Mass:101.00476828
Monoisotopic Mass:101.00476828
Topological Polar Surface Area:68.5
Heavy Atom Count:6
Complexity:97
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Mercapto-1,2,4-triazole

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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3-Mercapto-1,2,4-triazole

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