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120759-68-4 | 1-butyl-1H-imidazo[4,5-c]pyridine-2-thiol
CAS No: 120759-68-4 Catalog No: AG01DSJW MDL No:MFCD21841415
Product Description
Catalog Number:
AG01DSJW
Chemical Name:
1-butyl-1H-imidazo[4,5-c]pyridine-2-thiol
CAS Number:
120759-68-4
Molecular Formula:
C10H13N3S
Molecular Weight:
207.2953
MDL Number:
MFCD21841415
IUPAC Name:
1-butyl-3H-imidazo[4,5-c]pyridine-2-thione
InChI:
InChI=1S/C10H13N3S/c1-2-3-6-13-9-4-5-11-7-8(9)12-10(13)14/h4-5,7H,2-3,6H2,1H3,(H,12,14)
InChI Key:
YAFATTDXXXKCIQ-UHFFFAOYSA-N
SMILES:
CCCCn1c(S)nc2c1ccnc2
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.083g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.295g/mol
Monoisotopic Mass:
207.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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