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

  • 2-(methanesulfonylmethyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
  • 1-{3H-imidazo[4,5-b]pyridin-2-yl}-4-methyl-1,4-diazepane
  • 6-Methyl-3-[2-(methylsulfanyl)ethyl]quinoline-4-carboxylic acid
  • 2-[N-(butan-2-yl)-4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)pentanamido]acetic acid
  • 7-hydrazinyl-3-(4-methoxybutyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine
  • 2-(cyclobutylmethyl)-N-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
  • 5-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)pent-4-ynamido]-4-methylpentanoic acid
  • 5-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-N-methylbutanamido]pentanoic acid
  • 3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-({spiro[2.2]pentan-1-yl}carbamoyl)propanoic acid
  • 7-hydrazinyl-3-(pentan-2-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine
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