4-amino-3-[1-(1,3-benzodioxol-5-yloxy)ethyl]-1H-1,2,4-triazole-5-thione

Names

[ CAS No. ]:
115398-72-6

[ Name ]:
4-amino-3-[1-(1,3-benzodioxol-5-yloxy)ethyl]-1H-1,2,4-triazole-5-thione

Chemical & Physical Properties

[ Density]:
1.66g/cm3

[ Boiling Point ]:
416.2ºC at 760 mmHg

[ Molecular Formula ]:
C11H12N4O3S

[ Molecular Weight ]:
280.30300

[ Flash Point ]:
205.5ºC

[ Exact Mass ]:
280.06300

[ PSA ]:
123.22000

[ LogP ]:
1.73050

[ Vapour Pressure ]:
3.89E-07mmHg at 25°C

[ Index of Refraction ]:
1.753

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ5358350
CHEMICAL NAME :
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-amino-5-(1-(1,3-benzodioxol-5-yloxy)eth yl)-
CAS REGISTRY NUMBER :
115398-72-6
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H12-N4-O3-S
MOLECULAR WEIGHT :
280.33

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
INDRBA Indian Drugs. (Indian Drugs Manufacturers' Assoc., 102B, Poonam Chambers, Dr. A. B. Rd., Worli, Bombay 400 018, India) V.1- 1963- Volume(issue)/page/year: 25,301,1988

Synthetic Route

Click to get detail synthetic route

Related Compounds

  • tert-butyl N-[2-(4-chloro-2-hydroxyphenyl)propan-2-yl]carbamate
  • tert-butyl N-[1-(5-hydroxy-1,2,4-oxadiazol-3-yl)ethyl]carbamate
  • tert-butyl N-[1-(2-hydroxypyridin-3-yl)ethyl]carbamate
  • tert-butyl N-(1-cyclopropylethyl)-N-[(2-hydroxyphenyl)methyl]carbamate
  • tert-butyl N-[7-(4-hydroxyphenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]carbamate
  • Tert-butyl 5-hydroxy-2-methyl-1,2,3,4-tetrahydroquinoline-1-carboxylate
  • 3-{[(Tert-butoxy)carbonyl]amino}-5-hydroxy-2-methylbenzoic acid
  • Tert-butyl 3-(4-chloro-2-hydroxy-5-methylphenyl)azetidine-1-carboxylate
  • tert-butyl N-(3-hydroxy-4,5-dimethylphenyl)carbamate
  • tert-butyl N-(2-hydroxy-6-methylpyrimidin-4-yl)carbamate
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