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929973-05-7 | 2-sulfanylquinoline-4-carboxamide
CAS No: 929973-05-7 Catalog No: AG01FIAF MDL No:
Product Description
Catalog Number:
AG01FIAF
Chemical Name:
2-sulfanylquinoline-4-carboxamide
CAS Number:
929973-05-7
Molecular Formula:
C10H8N2OS
Molecular Weight:
204.2483
IUPAC Name:
2-sulfanylidene-1H-quinoline-4-carboxamide
InChI:
InChI=1S/C10H8N2OS/c11-10(13)7-5-9(14)12-8-4-2-1-3-6(7)8/h1-5H,(H2,11,13)(H,12,14)
InChI Key:
OKQISXFAPCTLQX-UHFFFAOYSA-N
SMILES:
Sc1nc2ccccc2c(c1)C(=O)N
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.036g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
204.247g/mol
Monoisotopic Mass:
204.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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