3-[(4-methoxyphenoxy)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione

Names

[ CAS No. ]:
107951-98-4

[ Name ]:
3-[(4-methoxyphenoxy)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione

Chemical & Physical Properties

[ Density]:
1.25g/cm3

[ Boiling Point ]:
477.1ºC at 760mmHg

[ Molecular Formula ]:
C17H17N3O2S

[ Molecular Weight ]:
327.40100

[ Exact Mass ]:
327.10400

[ PSA ]:
87.97000

[ LogP ]:
3.45200

[ Vapour Pressure ]:
2.88E-09mmHg at 25°C

[ Index of Refraction ]:
1.631

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ5359100
CHEMICAL NAME :
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-((4-methoxyphenoxy)methyl)-4-(4-methylp henyl)-
CAS REGISTRY NUMBER :
107951-98-4
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C17-H17-N3-O2-S
MOLECULAR WEIGHT :
327.43

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 :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IJSBDB Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. (Publications & Information Directorate, Council of Scientific and Industrial Research (CSIR), Hillside Rd., New Delhi 110 012, India) V.14B- 1976- Volume(issue)/page/year: 26,251,1987

Synthetic Route

Click to get detail synthetic route

Related Compounds

  • 5-(3,4-Dimethoxy-benzyl)-furan-2-carboxylic acid
  • 3-Tert-butoxycarbonylmethoxy-2,4,5-trifluorobenzoic acid methyl ester
  • 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
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine