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Substance Name: Mercaptotriazole
RN: 3179-31-5
UNII: RUS62L885R
InChIKey: AFBBKYQYNPNMAT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C2-H3-N3-S

Molecular Weight

  • 101.1327
 
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Names and Synonyms

Name of Substance

  • Mercaptotriazole

Synonyms

  • 1,2,4-Triazol-thiol-(3)
  • 1,2,4-Triazol-thiol-(3) [German]
  • 1,2,4-Triazole-3-thiol (VAN)
  • 1,2,4-Triazole-5-thiol
  • 1,2-Dihydro-3H-1,2,4-triazole-3-thione
  • 1,3,4-Triazine-2-thiol
  • 1,3,4-Triazole-2-thiol
  • 1H-1,2,4-Triazole, 3-mercapto-
  • 1H-1,2,4-Triazole-3-thiol
  • 2-Mercapto-1,3,4-triazole
  • 2-Mercapto-1,3,5-triazole
  • 3(5)-Mercapto-1,2,4-triazole
  • 3-Mercapto-1,2,4-triazole
  • 3-Mercapto-1H-1,2,4-triazole
  • 3-Mercapto-4H-1,2,4-triazole
  • 3H-1,2,4-Triazole-3-thione, 1,2-dihydro-
  • 4H-1,2,4-Triazole-3-thiol (VAN)
  • 5-Mercapto-1,3,4-triazole
  • AI3-61291
  • EINECS 221-656-6
  • ENT 61291
  • NSC 97089
  • S-Triazole-3-thiol
  • UNII-RUS62L885R

Systematic Names

  • 1,2,4-Triazole-3-thiol
  • 1,2-Dihydro-3H-1,2,4-triazole-3-thione
  • 1H-1,2,4-Triazole-3-thiol
  • 3H-1,2,4-Triazole-3-thione, 1,2-dihydro-
  • delta2-1,2,4-Triazoline-5-thione (8CI)

Registry Numbers

CAS Registry Number

  • 3179-31-5

FDA UNII

  • RUS62L885R

Other Registry Numbers

  • 17357-98-1
  • 51099-88-8
  • 7271-43-4

System Generated Number

  • 0003179315

Structure Descriptors

InChI

1S/C2H3N3S/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)

InChIKey

AFBBKYQYNPNMAT-UHFFFAOYSA-N

Smiles

c1[nH]c(nn1)S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1400mg/kg (1400mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 21, Pg. 284, 1971.
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03630,