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1030285-50-7 | 5-(ANILINOCARBONOTHIOYL)-4,5,6,7-TETRAHYDRO-3H-IMIDAZO[4,5-C]PYRIDINE-6-C+
CAS No: 1030285-50-7 Catalog No: AG01AQZ2 MDL No:MFCD04448843
Product Description
Catalog Number:
AG01AQZ2
Chemical Name:
5-(ANILINOCARBONOTHIOYL)-4,5,6,7-TETRAHYDRO-3H-IMIDAZO[4,5-C]PYRIDINE-6-C+
CAS Number:
1030285-50-7
Molecular Formula:
C14H15ClN4O2S
Molecular Weight:
338.8125
MDL Number:
MFCD04448843
IUPAC Name:
5-(phenylcarbamothioyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid;hydrochloride
InChI:
InChI=1S/C14H14N4O2S.ClH/c19-13(20)12-6-10-11(16-8-15-10)7-18(12)14(21)17-9-4-2-1-3-5-9;/h1-5,8,12H,6-7H2,(H,15,16)(H,17,21)(H,19,20);1H
InChI Key:
WSWBFBDWBRLNHE-UHFFFAOYSA-N
SMILES:
OC(=O)C1Cc2nc[nH]c2CN1C(=S)Nc1ccccc1.Cl
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.06g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
338.81g/mol
Monoisotopic Mass:
338.06g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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