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502621-92-3 | 3-Quinolinesulfonic acid, 1,4-dihydro-4-thioxo-
CAS No: 502621-92-3 Catalog No: AG006VJH MDL No:
Product Description
Catalog Number:
AG006VJH
Chemical Name:
3-Quinolinesulfonic acid, 1,4-dihydro-4-thioxo-
CAS Number:
502621-92-3
Molecular Formula:
C9H7NO3S2
Molecular Weight:
241.2868
IUPAC Name:
4-sulfanylidene-1H-quinoline-3-sulfonic acid
InChI:
InChI=1S/C9H7NO3S2/c11-15(12,13)8-5-10-7-4-2-1-3-6(7)9(8)14/h1-5H,(H,10,14)(H,11,12,13)
InChI Key:
DEHLVSFSQHIXPH-UHFFFAOYSA-N
SMILES:
S=c1c2ccccc2[nH]cc1S(=O)(=O)O
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.987g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.279g/mol
Monoisotopic Mass:
240.987g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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