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89544-17-2 | Quinoline, 3-(tetrahydro-1-oxido-2H-thiopyran-2-yl)-
CAS No: 89544-17-2 Catalog No: AG00874V MDL No:
Product Description
Catalog Number:
AG00874V
Chemical Name:
Quinoline, 3-(tetrahydro-1-oxido-2H-thiopyran-2-yl)-
CAS Number:
89544-17-2
Molecular Formula:
C14H15NOS
Molecular Weight:
245.3400
IUPAC Name:
2-quinolin-3-ylthiane 1-oxide
InChI:
InChI=1S/C14H15NOS/c16-17-8-4-3-7-14(17)12-9-11-5-1-2-6-13(11)15-10-12/h1-2,5-6,9-10,14H,3-4,7-8H2
InChI Key:
RBQCMEPOYAPQBU-UHFFFAOYSA-N
SMILES:
O=S1CCCCC1c1cnc2c(c1)cccc2
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.087g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.34g/mol
Monoisotopic Mass:
245.087g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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