4-(4-fluorophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carbonitrile

Modify Date: 2025-09-21 18:30:09

4-(4-fluorophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carbonitrile structure	Common Name	4-(4-fluorophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carbonitrile
	CAS Number	89451-35-4	Molecular Weight	308.37300
	Density	1.31g/cm3	Boiling Point	501ºC at 760 mmHg
	Molecular Formula	C₁₈H₁₃FN₂S	Melting Point	N/A
	MSDS	N/A	Flash Point	256.8ºC

Name	4-(4-fluorophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carbonitrile

Density	1.31g/cm3
Boiling Point	501ºC at 760 mmHg
Molecular Formula	C₁₈H₁₃FN₂S
Molecular Weight	308.37300
Flash Point	256.8ºC
Exact Mass	308.07800
PSA	74.95000
LogP	3.86768
Index of Refraction	1.667
InChIKey	BXAZKSYAXYGTLH-UHFFFAOYSA-N
SMILES	N#CC1C(=S)NC(c2ccccc2)=CC1c1ccc(F)cc1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: US4202200

CHEMICAL NAME :: 3-Pyridinecarbonitrile, 1,2,3,4-tetrahydro-4-(4-fluorophenyl)-6-phenyl-2-thio xo-

CAS REGISTRY NUMBER :: 89451-35-4

LAST UPDATED :: 199712

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C18-H13-F-N2-S

MOLECULAR WEIGHT :: 308.39

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Mammal - species unspecified

DOSE/DURATION :: 500 mg/kg

TOXIC EFFECTS :: Vascular - BP lowering not characterized in autonomic section

REFERENCE :: PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 19,313,1985

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