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

Modify Date: 2025-09-17 14:58:29

3-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-1-phenylprop-2-en-1-one Structure
3-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-1-phenylprop-2-en-1-one structure
 Common Name 3-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-1-phenylprop-2-en-1-one
CAS Number 126335-03-3 Molecular Weight 246.28800
Density 1.35g/cm3 Boiling Point 469.1ºC at 760 mmHg
Molecular Formula C11H10N4OS Melting Point N/A
MSDS N/A Flash Point 237.5ºC

 Names

Name 3-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-1-phenylprop-2-en-1-one
Synonym More Synonyms

 Chemical & Physical Properties

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
InChIKey WWVDGJKUZJXPDS-VOTSOKGWSA-N
SMILES Nn1cnnc1SC=CC(=O)c1ccccc1

 Toxicological Information

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

 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
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Chemsrc provides CAS#:126335-03-3 MSDS, density, melting point, boiling point, structure, etc. Its name is 3-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-1-phenylprop-2-en-1-one>> amp version: 3-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-1-phenylprop-2-en-1-one

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