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192696-25-6 | Quinoline, 3,4-dimethyl-2-(methylthio)-
CAS No: 192696-25-6 Catalog No: AG002G7O MDL No:
Product Description
Catalog Number:
AG002G7O
Chemical Name:
Quinoline, 3,4-dimethyl-2-(methylthio)-
CAS Number:
192696-25-6
Molecular Formula:
C12H13NS
Molecular Weight:
203.3033
IUPAC Name:
3,4-dimethyl-2-methylsulfanylquinoline
InChI:
InChI=1S/C12H13NS/c1-8-9(2)12(14-3)13-11-7-5-4-6-10(8)11/h4-7H,1-3H3
InChI Key:
KLYSKAHLWCQRFI-UHFFFAOYSA-N
SMILES:
CSc1nc2ccccc2c(c1C)C
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.077g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.303g/mol
Monoisotopic Mass:
203.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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