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91918-89-7 | 6-METHYL[1,3]DIOXOLO[4,5-G]QUINOLIN-8-YL HYDROSULFIDE; 6-METHYL[1,3]DIOXOLO[4,5-G]QUINOLINE-8-THIOL
CAS No: 91918-89-7 Catalog No: AG006KFL MDL No:
Product Description
Catalog Number:
AG006KFL
Chemical Name:
6-METHYL[1,3]DIOXOLO[4,5-G]QUINOLIN-8-YL HYDROSULFIDE; 6-METHYL[1,3]DIOXOLO[4,5-G]QUINOLINE-8-THIOL
CAS Number:
91918-89-7
Molecular Formula:
C22H18N2O4S2
Molecular Weight:
438.5193
IUPAC Name:
6-methyl-5H-[1,3]dioxolo[4,5-g]quinoline-8-thione
InChI:
InChI=1S/C11H9NO2S/c1-6-2-11(15)7-3-9-10(14-5-13-9)4-8(7)12-6/h2-4H,5H2,1H3,(H,12,15)
InChI Key:
HZRZFQMPJGRYNC-UHFFFAOYSA-N
SMILES:
Cc1cc(S)c2c(n1)cc1c(c2)OCO1.Cc1cc(S)c2c(n1)cc1c(c2)OCO1
UNII:
AK4VC2XJK7
NSC Number:
332382
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:
4
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:
2.3
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