126335-03-3

126335-03-3 structure

126335-03-3 structure

Name: 3-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-1-phenylprop-2-en-1-one
Chemical Name: 3-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-1-phenylprop-2-en-1-one
CAS Number: 126335-03-3
Molecular Formula: C₁₁H₁₀N₄OS
Molecular Weight: 246.28800
Create Date: 2017-10-26 06:49:36
Modify Date: 2024-01-13 19:06:03

Name	3-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-1-phenylprop-2-en-1-one
Synonyms	4-amino-3-benzoylvinylthio-1,2,4-triazole 2-Propen-1-one,3-[(4-amino-4H-1,2,4-triazol-3-yl)thio]-1-phenyl

Density	1.35g/cm3
Boiling Point	469.1ºC at 760 mmHg
Molecular Formula	C₁₁H₁₀N₄OS
Molecular Weight	246.28800
Flash Point	237.5ºC
Exact Mass	246.05800
PSA	99.10000
LogP	2.06180
Vapour Pressure	5.64E-09mmHg at 25°C
Index of Refraction	1.682

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UD5572400

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

CAS REGISTRY NUMBER :: 126335-03-3

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C11-H10-N4-O-S

MOLECULAR WEIGHT :: 246.31

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 :: 23 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