5-(4-methoxyphenyl)-2,4-dimethyl-1,2,4-triazole-3-thione

Names

[ CAS No. ]:
110623-39-7

[ Name ]:
5-(4-methoxyphenyl)-2,4-dimethyl-1,2,4-triazole-3-thione

Chemical & Physical Properties

[ Density]:
1.22g/cm3

[ Boiling Point ]:
314.7ºC at 760mmHg

[ Molecular Formula ]:
C11H13N3OS

[ Molecular Weight ]:
235.30500

[ Flash Point ]:
144.1ºC

[ Exact Mass ]:
235.07800

[ PSA ]:
64.07000

[ LogP ]:
2.16370

[ Vapour Pressure ]:
0.000457mmHg at 25°C

[ Index of Refraction ]:
1.619

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ5359080
CHEMICAL NAME :
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(4-methoxyphenyl)-
CAS REGISTRY NUMBER :
110623-39-7
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H13-N3-O-S
MOLECULAR WEIGHT :
235.33

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 :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 31,1253,1988

Synthetic Route

Click to get detail synthetic route

Related Compounds

  • Methyl 3-(azetidin-3-yl)-3-oxopropanoate
  • Methyl 3-(2-chloropyridin-4-yl)-3-hydroxypropanoate
  • Methyl 3-(2-chloropyridin-3-yl)-3-hydroxypropanoate
  • Methyl 3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-hydroxypropanoate
  • Methyl 3-(benzo[d][1,3]dioxol-5-yl)-3-hydroxypropanoate
  • Methyl 3-hydroxy-3-(pyrazin-2-yl)propanoate
  • Methyl 3-hydroxy-3-(piperidin-2-yl)propanoate
  • Benzyl 2-(1-hydroxy-3-methoxy-3-oxopropyl)piperidine-1-carboxylate
  • tert-Butyl 3-(1-hydroxy-3-methoxy-3-oxopropyl)piperidine-1-carboxylate
  • tert-Butyl 4-(1-hydroxy-3-methoxy-3-oxopropyl)piperidine-1-carboxylate
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