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2059988-88-2 | ethyl(imino)(quinolin-8-yl)-lambda6-sulfanone
CAS No: 2059988-88-2 Catalog No: AG01B72D MDL No:MFCD30345069
Product Description
Catalog Number:
AG01B72D
Chemical Name:
ethyl(imino)(quinolin-8-yl)-lambda6-sulfanone
CAS Number:
2059988-88-2
Molecular Formula:
C11H12N2OS
Molecular Weight:
220.2908
MDL Number:
MFCD30345069
IUPAC Name:
ethyl-imino-oxo-quinolin-8-yl-λ6-sulfane
InChI:
InChI=1S/C11H12N2OS/c1-2-15(12,14)10-7-3-5-9-6-4-8-13-11(9)10/h3-8,12H,2H2,1H3
InChI Key:
MHRAFUMUNSULHO-UHFFFAOYSA-N
SMILES:
CCS(=O)(=N)c1cccc2c1nccc2
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.067g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.29g/mol
Monoisotopic Mass:
220.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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