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Home > Encyclopedia > 3-Mercapto-1,2,4-triazole

3-Mercapto-1,2,4-triazole

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

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

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

WHITE TO SLIGHTLY YELLOW FINE CRYSTALLINE POWDER

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

101.130

101.13

221-656-6

RUS62L885R

97089

DTXSID0062894

2933990090

Characteristics

80.37000

-0.2

white solid with a stench

1.5±0.1 g/cm3

216 °C @ Solvent: Water

275.8±23.0 °C at 760 mmHg

120.6±22.6 °C

1.673

Soluble in hot water.

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

Safety Information

1

R22;R36

S26-S33-S39-S7/8

XZ5267500

Xi:Irritant;

Stable under normal temperatures and pressures.

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

H302

|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

1,2,4-triazolethione

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

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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