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917746-90-8 | 3,8-Dimethyl-quinoline-2-thiol
CAS No: 917746-90-8 Catalog No: AG01EZ50 MDL No:
Product Description
Catalog Number:
AG01EZ50
Chemical Name:
3,8-Dimethyl-quinoline-2-thiol
CAS Number:
917746-90-8
Molecular Formula:
C11H11NS
Molecular Weight:
189.2767
IUPAC Name:
3,8-dimethyl-1H-quinoline-2-thione
InChI:
InChI=1S/C11H11NS/c1-7-4-3-5-9-6-8(2)11(13)12-10(7)9/h3-6H,1-2H3,(H,12,13)
InChI Key:
OQQJDXYXWHBVMW-UHFFFAOYSA-N
SMILES:
Sc1nc2c(cc1C)cccc2C
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:
1
Isotope Atom Count:
0
Molecular Weight:
189.276g/mol
Monoisotopic Mass:
189.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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