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120759-67-3 | 1-(propan-2-yl)-1H-imidazo[4,5-c]pyridine-2-thiol
CAS No: 120759-67-3 Catalog No: AG01DQFC MDL No:MFCD00488701
Product Description
Catalog Number:
AG01DQFC
Chemical Name:
1-(propan-2-yl)-1H-imidazo[4,5-c]pyridine-2-thiol
CAS Number:
120759-67-3
Molecular Formula:
C9H11N3S
Molecular Weight:
193.2687
MDL Number:
MFCD00488701
IUPAC Name:
1-propan-2-yl-3H-imidazo[4,5-c]pyridine-2-thione
InChI:
InChI=1S/C9H11N3S/c1-6(2)12-8-3-4-10-5-7(8)11-9(12)13/h3-6H,1-2H3,(H,11,13)
InChI Key:
HGLZOSYEDKTHPA-UHFFFAOYSA-N
SMILES:
CC(n1c(S)nc2c1ccnc2)C
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.067g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.268g/mol
Monoisotopic Mass:
193.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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