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2584-46-5 | 2(1H)-Quinolinethione,1,4-dimethyl-
CAS No: 2584-46-5 Catalog No: AG006VJ5 MDL No:
Product Description
Catalog Number:
AG006VJ5
Chemical Name:
2(1H)-Quinolinethione,1,4-dimethyl-
CAS Number:
2584-46-5
Molecular Formula:
C11H11NS
Molecular Weight:
189.2767
IUPAC Name:
1,4-dimethylquinoline-2-thione
InChI:
InChI=1S/C11H11NS/c1-8-7-11(13)12(2)10-6-4-3-5-9(8)10/h3-7H,1-2H3
InChI Key:
HWIMUPKTIXMNEZ-UHFFFAOYSA-N
SMILES:
Cc1cc(=S)n(c2c1cccc2)C
NSC Number:
108426
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.061g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.276g/mol
Monoisotopic Mass:
189.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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