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96314-83-9 | Oxazolo[4,5-c]quinoline, 2-(ethylthio)-9-methyl-
CAS No: 96314-83-9 Catalog No: AG006RZJ MDL No:
Product Description
Catalog Number:
AG006RZJ
Chemical Name:
Oxazolo[4,5-c]quinoline, 2-(ethylthio)-9-methyl-
CAS Number:
96314-83-9
Molecular Formula:
C13H12N2OS
Molecular Weight:
244.3122
IUPAC Name:
2-ethylsulfanyl-9-methyl-[1,3]oxazolo[4,5-c]quinoline
InChI:
InChI=1S/C13H12N2OS/c1-3-17-13-15-10-7-14-9-6-4-5-8(2)11(9)12(10)16-13/h4-7H,3H2,1-2H3
InChI Key:
ADNFISHJYLKAIK-UHFFFAOYSA-N
SMILES:
CCSc1nc2c(o1)c1c(C)cccc1nc2
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.067g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.312g/mol
Monoisotopic Mass:
244.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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