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100857-78-1 | 4-Quinolinecarboxylic acid, 2-[2-(aminothioxomethyl)hydrazinyl]-
CAS No: 100857-78-1 Catalog No: AG00031F MDL No:
Product Description
Catalog Number:
AG00031F
Chemical Name:
4-Quinolinecarboxylic acid, 2-[2-(aminothioxomethyl)hydrazinyl]-
CAS Number:
100857-78-1
Molecular Formula:
C11H10N4O2S
Molecular Weight:
262.2877
IUPAC Name:
2-(2-carbamothioylhydrazinyl)quinoline-4-carboxylic acid
InChI:
InChI=1S/C11H10N4O2S/c12-11(18)15-14-9-5-7(10(16)17)6-3-1-2-4-8(6)13-9/h1-5H,(H,13,14)(H,16,17)(H3,12,15,18)
InChI Key:
KUNIBFOGJCHYBO-UHFFFAOYSA-N
SMILES:
NC(=S)NNc1nc2ccccc2c(c1)C(=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:
262.052g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
262.287g/mol
Monoisotopic Mass:
262.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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