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16078-43-6 | Ethanethione, 1-(3,4-dihydro-2-methyl-1(2H)-quinolinyl)-
CAS No: 16078-43-6 Catalog No: AG001VCD MDL No:MFCD28047122
Product Description
Catalog Number:
AG001VCD
Chemical Name:
Ethanethione, 1-(3,4-dihydro-2-methyl-1(2H)-quinolinyl)-
CAS Number:
16078-43-6
Molecular Formula:
C12H15NS
Molecular Weight:
205.3192
MDL Number:
MFCD28047122
IUPAC Name:
1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanethione
InChI:
InChI=1S/C12H15NS/c1-9-7-8-11-5-3-4-6-12(11)13(9)10(2)14/h3-6,9H,7-8H2,1-2H3
InChI Key:
XVUPAUCDTQFRLB-UHFFFAOYSA-N
SMILES:
CC1CCc2c(N1C(=S)C)cccc2
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.093g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.319g/mol
Monoisotopic Mass:
205.093g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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