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112644-23-2 | Bisme-tetrahydroquinoline
CAS No: 112644-23-2 Catalog No: AG0079GN MDL No:
Product Description
Catalog Number:
AG0079GN
Chemical Name:
Bisme-tetrahydroquinoline
CAS Number:
112644-23-2
Molecular Formula:
C19H21N3OS
Molecular Weight:
339.4545
IUPAC Name:
8-(1H-benzimidazol-2-ylsulfinylmethyl)-1-ethyl-3,4-dihydro-2H-quinoline
InChI:
InChI=1S/C19H21N3OS/c1-2-22-12-6-9-14-7-5-8-15(18(14)22)13-24(23)19-20-16-10-3-4-11-17(16)21-19/h3-5,7-8,10-11H,2,6,9,12-13H2,1H3,(H,20,21)
InChI Key:
LZEHRLLBLAESEZ-UHFFFAOYSA-N
SMILES:
CCN1CCCc2c1c(ccc2)CS(=O)c1nc2c([nH]1)cccc2
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.141g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
339.457g/mol
Monoisotopic Mass:
339.141g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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