3-Pyridinecarbonitrile, 1,4-dihydro-5-acetyl-6-methyl-2-(methylthio)-4-phenyl-

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Names

[ CAS No. ]:
117509-71-4

[ Name ]:
3-Pyridinecarbonitrile, 1,4-dihydro-5-acetyl-6-methyl-2-(methylthio)-4-phenyl-

[Synonym ]:
hms2587a16

Chemical & Physical Properties

[ Density]:
1.21g/cm3

[ Boiling Point ]:
462.6ºC at 760mmHg

[ Molecular Formula ]:
C16H16N2OS

[ Molecular Weight ]:
284.37600

[ Flash Point ]:
233.5ºC

[ Exact Mass ]:
284.09800

[ PSA ]:
78.19000

[ LogP ]:
3.66338

[ Vapour Pressure ]:
9.77E-09mmHg at 25°C

[ Index of Refraction ]:
1.613

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
US4200800
CHEMICAL NAME :
3-Pyridinecarbonitrile, 1,4-dihydro-5-acetyl-6-methyl-2-(methylthio)-4-phenyl -
CAS REGISTRY NUMBER :
117509-71-4
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C16-H16-N2-O-S
MOLECULAR WEIGHT :
284.40

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 :
RPTOAN Russian Pharmacology and Toxicology (English Translation). Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey, UK) V.30- 1967- Volume(issue)/page/year: 51,191,1988

Related Compounds

  • 1-(6-(1H-pyrazol-1-yl)pyrimidin-4-yl)-N-cyclopropylazetidine-3-carboxamide
  • 1-(6-(1H-pyrazol-1-yl)pyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide
  • 1-(6-(1H-pyrazol-1-yl)pyrimidin-4-yl)-N-(2-(trifluoromethoxy)benzyl)azetidine-3-carboxamide
  • 1-(6-(1H-pyrazol-1-yl)pyrimidin-4-yl)-N-(1H-indazol-6-yl)azetidine-3-carboxamide
  • 1-(6-(1H-pyrazol-1-yl)pyrimidin-4-yl)-N-(2-(3,5-dimethylphenoxy)ethyl)azetidine-3-carboxamide
  • 1-(6-(1H-pyrazol-1-yl)pyrimidin-4-yl)-N-(3-(difluoromethoxy)phenyl)azetidine-3-carboxamide
  • methyl 2-(1-(6-(1H-pyrazol-1-yl)pyrimidin-4-yl)azetidine-3-carboxamido)thiophene-3-carboxylate
  • 1-(6-(1H-pyrazol-1-yl)pyrimidin-4-yl)-N-(pyrazin-2-yl)azetidine-3-carboxamide
  • 1-(6-(1H-pyrazol-1-yl)pyrimidin-4-yl)-N-(4-(benzyloxy)phenyl)azetidine-3-carboxamide
  • 1-(6-(1H-pyrazol-1-yl)pyrimidin-4-yl)-N-(4-(methylsulfonyl)phenyl)azetidine-3-carboxamide
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