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15759-05-4 | 8-Quinolinethiol, 7-methyl-
CAS No: 15759-05-4 Catalog No: AG001PJB MDL No:MFCD28338648
Product Description
Catalog Number:
AG001PJB
Chemical Name:
8-Quinolinethiol, 7-methyl-
CAS Number:
15759-05-4
Molecular Formula:
C10H9NS
Molecular Weight:
175.2502
MDL Number:
MFCD28338648
IUPAC Name:
7-methylquinoline-8-thiol
InChI:
InChI=1S/C10H9NS/c1-7-4-5-8-3-2-6-11-9(8)10(7)12/h2-6,12H,1H3
InChI Key:
IPYLULDKWAHESO-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1S)nccc2
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.046g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.249g/mol
Monoisotopic Mass:
175.046g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
13.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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