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2059950-30-8 | ethyl(imino)(4-methylquinolin-2-yl)-lambda6-sulfanone
CAS No: 2059950-30-8 Catalog No: AG01B72G MDL No:MFCD30345074
Product Description
Catalog Number:
AG01B72G
Chemical Name:
ethyl(imino)(4-methylquinolin-2-yl)-lambda6-sulfanone
CAS Number:
2059950-30-8
Molecular Formula:
C12H14N2OS
Molecular Weight:
234.3174
MDL Number:
MFCD30345074
IUPAC Name:
ethyl-imino-(4-methylquinolin-2-yl)-oxo-λ6-sulfane
InChI:
InChI=1S/C12H14N2OS/c1-3-16(13,15)12-8-9(2)10-6-4-5-7-11(10)14-12/h4-8,13H,3H2,1-2H3
InChI Key:
JCIPXEDNVZVCLO-UHFFFAOYSA-N
SMILES:
CCS(=O)(=N)c1cc(C)c2c(n1)cccc2
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.083g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.317g/mol
Monoisotopic Mass:
234.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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