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88482-89-7 | 1H-Imidazo[4,5-b]pyridine-1-propanenitrile, 2,3-dihydro-2-thioxo-
CAS No: 88482-89-7 Catalog No: AG0049I2 MDL No:
Product Description
Catalog Number:
AG0049I2
Chemical Name:
1H-Imidazo[4,5-b]pyridine-1-propanenitrile, 2,3-dihydro-2-thioxo-
CAS Number:
88482-89-7
Molecular Formula:
C9H8N4S
Molecular Weight:
204.2516
IUPAC Name:
3-(2-sulfanylidene-3H-imidazo[4,5-b]pyridin-1-yl)propanenitrile
InChI:
InChI=1S/C9H8N4S/c10-4-2-6-13-7-3-1-5-11-8(7)12-9(13)14/h1,3,5H,2,6H2,(H,11,12,14)
InChI Key:
QKOJKKJRWLCHBE-UHFFFAOYSA-N
SMILES:
N#CCCn1c(=S)[nH]c2c1cccn2
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.047g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.251g/mol
Monoisotopic Mass:
204.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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