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199281-87-3 | 5,8-dimethoxy-4-methylquinoline-2-thiol
CAS No: 199281-87-3 Catalog No: AG00JH5B MDL No:MFCD07065532
Product Description
Catalog Number:
AG00JH5B
Chemical Name:
5,8-dimethoxy-4-methylquinoline-2-thiol
CAS Number:
199281-87-3
Molecular Formula:
C12H13NO2S
Molecular Weight:
235.3021
MDL Number:
MFCD07065532
IUPAC Name:
5,8-dimethoxy-4-methyl-1H-quinoline-2-thione
InChI:
InChI=1S/C12H13NO2S/c1-7-6-10(16)13-12-9(15-3)5-4-8(14-2)11(7)12/h4-6H,1-3H3,(H,13,16)
InChI Key:
YSRUOXZLMNJOLX-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1nc(S)cc2C)OC
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.067g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.301g/mol
Monoisotopic Mass:
235.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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