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917749-56-5 | 8-Ethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-7-thiol
CAS No: 917749-56-5 Catalog No: AG01EZ7D MDL No:
Product Description
Catalog Number:
AG01EZ7D
Chemical Name:
8-Ethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-7-thiol
CAS Number:
917749-56-5
Molecular Formula:
C13H13NO2S
Molecular Weight:
247.3128
IUPAC Name:
8-ethyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-7-thione
InChI:
InChI=1S/C13H13NO2S/c1-2-8-5-9-6-11-12(16-4-3-15-11)7-10(9)14-13(8)17/h5-7H,2-4H2,1H3,(H,14,17)
InChI Key:
UKMRCVSQHLPTPD-UHFFFAOYSA-N
SMILES:
CCc1cc2cc3OCCOc3cc2nc1S
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.067g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.312g/mol
Monoisotopic Mass:
247.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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