2-Hepten-1-one, 3-((4-amino-4H-1,2,4-triazol-3-yl)thio)-1-phenyl-

Modify Date: 2024-01-31 08:13:10

2-Hepten-1-one, 3-((4-amino-4H-1,2,4-triazol-3-yl)thio)-1-phenyl- structure	Common Name	2-Hepten-1-one, 3-((4-amino-4H-1,2,4-triazol-3-yl)thio)-1-phenyl-
	CAS Number	126335-02-2	Molecular Weight	302.39500
	Density	1.23g/cm3	Boiling Point	497.7ºC at 760mmHg
	Molecular Formula	C₁₅H₁₈N₄OS	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	(Z)-3-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-1-phenylhept-2-en-1-one

Density	1.23g/cm3
Boiling Point	497.7ºC at 760mmHg
Molecular Formula	C₁₅H₁₈N₄OS
Molecular Weight	302.39500
Exact Mass	302.12000
PSA	99.10000
LogP	3.62220
Vapour Pressure	4.85E-10mmHg at 25°C
Index of Refraction	1.628

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MJ9696000

CHEMICAL NAME :: 2-Hepten-1-one, 3-((4-amino-4H-1,2,4-triazol-3-yl)thio)-1-phenyl-

CAS REGISTRY NUMBER :: 126335-02-2

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C15-H18-N4-O-S

MOLECULAR WEIGHT :: 302.43

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Mammal - species unspecified

DOSE/DURATION :: 225 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

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: 23,911,1989