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

Modify Date: 2025-10-31 23:06:38

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

 Names

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

 Chemical & Physical Properties

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
InChIKey RJNUFSZVSJUMSN-RAXLEYEMSA-N
SMILES CCCCC(=CC(=O)c1ccccc1)Sc1nncn1N

 Toxicological Information

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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Chemsrc provides CAS#:126335-02-2 MSDS, density, melting point, boiling point, structure, etc. Its name is 2-Hepten-1-one, 3-((4-amino-4H-1,2,4-triazol-3-yl)thio)-1-phenyl->> amp version: 2-Hepten-1-one, 3-((4-amino-4H-1,2,4-triazol-3-yl)thio)-1-phenyl-

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