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71330-95-5 | 8-Quinolinesulfonicacid, 4-(methylthio)-
CAS No: 71330-95-5 Catalog No: AG0069G7 MDL No:
Product Description
Catalog Number:
AG0069G7
Chemical Name:
8-Quinolinesulfonicacid, 4-(methylthio)-
CAS Number:
71330-95-5
Molecular Formula:
C10H9NO3S2
Molecular Weight:
255.3134
IUPAC Name:
4-methylsulfanylquinoline-8-sulfonic acid
InChI:
InChI=1S/C10H9NO3S2/c1-15-8-5-6-11-10-7(8)3-2-4-9(10)16(12,13)14/h2-6H,1H3,(H,12,13,14)
InChI Key:
IIMHFOXNDQVHDJ-UHFFFAOYSA-N
SMILES:
CSc1ccnc2c1cccc2S(=O)(=O)O
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.002g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.306g/mol
Monoisotopic Mass:
255.002g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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