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Home > Imidazoles > 73932-12-4
73932-12-4 | 4'-(ETHYLTHIO)-2-(1-IMIDAZOLYL)ACETOPHENONE
CAS No: 73932-12-4 Catalog No: AG008PLG MDL No:
Product Description
Catalog Number:
AG008PLG
Chemical Name:
4'-(ETHYLTHIO)-2-(1-IMIDAZOLYL)ACETOPHENONE
CAS Number:
73932-12-4
Molecular Formula:
C13H14N2OS
Molecular Weight:
246.3281
IUPAC Name:
1-(4-ethylsulfanylphenyl)-2-imidazol-1-ylethanone
InChI:
InChI=1S/C13H14N2OS/c1-2-17-12-5-3-11(4-6-12)13(16)9-15-8-7-14-10-15/h3-8,10H,2,9H2,1H3
InChI Key:
LCDOZUVVLVSCHH-UHFFFAOYSA-N
SMILES:
CCSc1ccc(cc1)C(=O)Cn1cncc1
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.083g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.328g/mol
Monoisotopic Mass:
246.083g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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