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24186-85-4 | 8-Quinolinethiol, 6-methoxy-
CAS No: 24186-85-4 Catalog No: AG007O3T MDL No:
Product Description
Catalog Number:
AG007O3T
Chemical Name:
8-Quinolinethiol, 6-methoxy-
CAS Number:
24186-85-4
Molecular Formula:
C10H9NOS
Molecular Weight:
191.2496
IUPAC Name:
6-methoxyquinoline-8-thiol
InChI:
InChI=1S/C10H9NOS/c1-12-8-5-7-3-2-4-11-10(7)9(13)6-8/h2-6,13H,1H3
InChI Key:
VZWQKHDYKKWWNI-UHFFFAOYSA-N
SMILES:
COc1cc(S)c2c(c1)cccn2
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.248g/mol
Monoisotopic Mass:
191.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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