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917749-60-1 | 7-Methyl-[1,3]dioxolo[4,5-g]quinoline-6-thiol
CAS No: 917749-60-1 Catalog No: AG01EZ7H MDL No:
Product Description
Catalog Number:
AG01EZ7H
Chemical Name:
7-Methyl-[1,3]dioxolo[4,5-g]quinoline-6-thiol
CAS Number:
917749-60-1
Molecular Formula:
C11H9NO2S
Molecular Weight:
219.2597
IUPAC Name:
7-methyl-5H-[1,3]dioxolo[4,5-g]quinoline-6-thione
InChI:
InChI=1S/C11H9NO2S/c1-6-2-7-3-9-10(14-5-13-9)4-8(7)12-11(6)15/h2-4H,5H2,1H3,(H,12,15)
InChI Key:
JDIFJOWIQJUQQN-UHFFFAOYSA-N
SMILES:
Sc1nc2cc3OCOc3cc2cc1C
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.035g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.258g/mol
Monoisotopic Mass:
219.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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