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18615-23-1 | 8-thiocyanatoquinoline-5-sulfonic acid
CAS No: 18615-23-1 Catalog No: AG00768O MDL No:
Product Description
Catalog Number:
AG00768O
Chemical Name:
8-thiocyanatoquinoline-5-sulfonic acid
CAS Number:
18615-23-1
Molecular Formula:
C10H6N2O3S2
Molecular Weight:
266.2962
IUPAC Name:
8-thiocyanatoquinoline-5-sulfonic acid
InChI:
InChI=1S/C10H6N2O3S2/c11-6-16-8-3-4-9(17(13,14)15)7-2-1-5-12-10(7)8/h1-5H,(H,13,14,15)
InChI Key:
CAMRZXWYBBXBEI-UHFFFAOYSA-N
SMILES:
N#CSc1ccc(c2c1nccc2)S(=O)(=O)O
NSC Number:
127170
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.982g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.289g/mol
Monoisotopic Mass:
265.982g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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