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Home > Imidazoles > 192800-14-9
192800-14-9 | 1H-Imidazole, 2-[[2-(1H-imidazol-5-yl)ethyl]thio]-5-(4-propylphenyl)-
CAS No: 192800-14-9 Catalog No: AG002GBL MDL No:
Product Description
Catalog Number:
AG002GBL
Chemical Name:
1H-Imidazole, 2-[[2-(1H-imidazol-5-yl)ethyl]thio]-5-(4-propylphenyl)-
CAS Number:
192800-14-9
Molecular Formula:
C17H20N4S
Molecular Weight:
312.4325
IUPAC Name:
2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-5-(4-propylphenyl)-1H-imidazole
InChI:
InChI=1S/C17H20N4S/c1-2-3-13-4-6-14(7-5-13)16-11-19-17(21-16)22-9-8-15-10-18-12-20-15/h4-7,10-12H,2-3,8-9H2,1H3,(H,18,20)(H,19,21)
InChI Key:
URBTVSJDFXZLFS-UHFFFAOYSA-N
SMILES:
CCCc1ccc(cc1)c1cnc([nH]1)SCCc1cnc[nH]1
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.141g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
312.435g/mol
Monoisotopic Mass:
312.141g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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