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Home > Imidazoles > 917748-16-4
917748-16-4 | 3-Cyclohexyl-3H-imidazo[4,5-b]pyridine-2-thiol
CAS No: 917748-16-4 Catalog No: AG01EZ6H MDL No:
Product Description
Catalog Number:
AG01EZ6H
Chemical Name:
3-Cyclohexyl-3H-imidazo[4,5-b]pyridine-2-thiol
CAS Number:
917748-16-4
Molecular Formula:
C12H15N3S
Molecular Weight:
233.3326
IUPAC Name:
3-cyclohexyl-1H-imidazo[4,5-b]pyridine-2-thione
InChI:
InChI=1S/C12H15N3S/c16-12-14-10-7-4-8-13-11(10)15(12)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,14,16)
InChI Key:
MMRCXMJHAFHBDJ-UHFFFAOYSA-N
SMILES:
Sc1nc2c(n1C1CCCCC1)nccc2
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.099g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.333g/mol
Monoisotopic Mass:
233.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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