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Home > Imidazoles > 73932-13-5
73932-13-5 | 2-(1-IMIDAZOLYL)-4'-(PROPYLTHIO)ACETOPHENONE
CAS No: 73932-13-5 Catalog No: AG008PLF MDL No:
Product Description
Catalog Number:
AG008PLF
Chemical Name:
2-(1-IMIDAZOLYL)-4'-(PROPYLTHIO)ACETOPHENONE
CAS Number:
73932-13-5
Molecular Formula:
C14H16N2OS
Molecular Weight:
260.3546
IUPAC Name:
2-imidazol-1-yl-1-(4-propylsulfanylphenyl)ethanone
InChI:
InChI=1S/C14H16N2OS/c1-2-9-18-13-5-3-12(4-6-13)14(17)10-16-8-7-15-11-16/h3-8,11H,2,9-10H2,1H3
InChI Key:
BZMZMIMVNYUOIC-UHFFFAOYSA-N
SMILES:
CCCSc1ccc(cc1)C(=O)Cn1cncc1
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.098g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.355g/mol
Monoisotopic Mass:
260.098g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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