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604754-90-7 | 2(1H)-Quinolinethione,3-ethyl-5,8-dimethyl-(9CI)
CAS No: 604754-90-7 Catalog No: AG00EY88 MDL No:
Product Description
Catalog Number:
AG00EY88
Chemical Name:
2(1H)-Quinolinethione,3-ethyl-5,8-dimethyl-(9CI)
CAS Number:
604754-90-7
IUPAC Name:
3-ethyl-5,8-dimethyl-1H-quinoline-2-thione
InChI:
InChI=1S/C13H15NS/c1-4-10-7-11-8(2)5-6-9(3)12(11)14-13(10)15/h5-7H,4H2,1-3H3,(H,14,15)
InChI Key:
BKNKTQJFMZPDAW-UHFFFAOYSA-N
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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