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96331-94-1 | Oxazolo[4,5-c]quinoline, 9-methyl-2-(propylthio)-
CAS No: 96331-94-1 Catalog No: AG006RZ5 MDL No:
Product Description
Catalog Number:
AG006RZ5
Chemical Name:
Oxazolo[4,5-c]quinoline, 9-methyl-2-(propylthio)-
CAS Number:
96331-94-1
Molecular Formula:
C14H14N2OS
Molecular Weight:
258.3388
IUPAC Name:
9-methyl-2-propylsulfanyl-[1,3]oxazolo[4,5-c]quinoline
InChI:
InChI=1S/C14H14N2OS/c1-3-7-18-14-16-11-8-15-10-6-4-5-9(2)12(10)13(11)17-14/h4-6,8H,3,7H2,1-2H3
InChI Key:
BHNITPBFUOFAOW-UHFFFAOYSA-N
SMILES:
CCCSc1nc2c(o1)c1c(C)cccc1nc2
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.083g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.339g/mol
Monoisotopic Mass:
258.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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