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

  • 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
  • (4-(Difluoromethyl)-3-fluoro-6-iodopyridin-2-yl)methanol
  • 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
  • 4-Cyano-6-(difluoromethyl)-3-iodo-2-methoxypyridine
  • 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