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917750-49-3 | 3-Ethyl-7,8-dimethyl-quinoline-2-thiol
CAS No: 917750-49-3 Catalog No: AG01EZ8W MDL No:
Product Description
Catalog Number:
AG01EZ8W
Chemical Name:
3-Ethyl-7,8-dimethyl-quinoline-2-thiol
CAS Number:
917750-49-3
Molecular Formula:
C13H15NS
Molecular Weight:
217.3299
IUPAC Name:
3-ethyl-7,8-dimethyl-1H-quinoline-2-thione
InChI:
InChI=1S/C13H15NS/c1-4-10-7-11-6-5-8(2)9(3)12(11)14-13(10)15/h5-7H,4H2,1-3H3,(H,14,15)
InChI Key:
GIFSGJWDOWKDNU-UHFFFAOYSA-N
SMILES:
CCc1cc2ccc(c(c2nc1S)C)C
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.093g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.33g/mol
Monoisotopic Mass:
217.093g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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