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

  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 2-((9-chloro-6-methyl-5,5-dioxido-6H-benzo[c]pyrimido[4,5-e][1,2]thiazin-2-yl)thio)-N-(2-methoxybenzyl)acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • (2,5-Dimethylthiophen-3-yl)(4-(trifluoromethyl)phenyl)methanone
  • tert-Butyl-DL-alanine