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Substance Name: 2-Propanol, 1-chloro-3-((1H-1,2,4-triazol-3-yl)thio)-
RN: 134399-10-3
InChIKey: RSBJWCDFCOHJAI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C5-H8-Cl-N3-O-S

Molecular Weight

  • 193.6572
 
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Names and Synonyms

Synonyms

  • 1-Chloro-3-((1H-1,2,4-triazol-3-yl)thio)-2-propanol
  • 3-(1-Chloro-2-hydroxypropylthio)-1,2,4-triazole

Systematic Names

  • 2-Propanol, 1-chloro-1-(1H-1,2,4-triazol-3-ylthio)-
  • 2-Propanol, 1-chloro-3-((1H-1,2,4-triazol-3-yl)thio)-

Registry Numbers

CAS Registry Number

  • 134399-10-3

System Generated Number

  • 0134399103

Structure Descriptors

InChI

1S/C5H8ClN3OS/c1-3(10)4(6)11-5-7-2-8-9-5/h2-4,10H,1H3,(H,7,8,9)

InChIKey

RSBJWCDFCOHJAI-UHFFFAOYSA-N

Smiles

CC(C(Sc1nc[nH]n1)Cl)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 2gm/kg (2000mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 171, 1991.