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604754-98-5 | 2(1H)-Quinolinethione,3-ethyl-7-methoxy-(9CI)
CAS No: 604754-98-5 Catalog No: AG00EY8N MDL No:
Product Description
Catalog Number:
AG00EY8N
Chemical Name:
2(1H)-Quinolinethione,3-ethyl-7-methoxy-(9CI)
CAS Number:
604754-98-5
IUPAC Name:
3-ethyl-7-methoxy-3H-quinoline-2-thione
InChI:
InChI=1S/C12H13NOS/c1-3-8-6-9-4-5-10(14-2)7-11(9)13-12(8)15/h4-8H,3H2,1-2H3
InChI Key:
LLIRKIVXTLJHOI-UHFFFAOYSA-N
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.072g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.302g/mol
Monoisotopic Mass:
219.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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