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126335-02-2

126335-02-2 structure

126335-02-2 structure

Name: 2-Hepten-1-one, 3-((4-amino-4H-1,2,4-triazol-3-yl)thio)-1-phenyl-
Chemical Name: (Z)-3-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-1-phenylhept-2-en-1-one
CAS Number: 126335-02-2
Molecular Formula: C₁₅H₁₈N₄OS
Molecular Weight: 302.39500
Create Date: 2017-09-20 04:24:23
Modify Date: 2025-10-31 23:06:38

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

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