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96314-85-1 | Ethanethioic acid, S-(9-methyloxazolo[4,5-c]quinolin-2-yl) ester
CAS No: 96314-85-1 Catalog No: AG00687H MDL No:
Product Description
Catalog Number:
AG00687H
Chemical Name:
Ethanethioic acid, S-(9-methyloxazolo[4,5-c]quinolin-2-yl) ester
CAS Number:
96314-85-1
Molecular Formula:
C13H10N2O2S
Molecular Weight:
258.2957
IUPAC Name:
S-(9-methyl-[1,3]oxazolo[4,5-c]quinolin-2-yl) ethanethioate
InChI:
InChI=1S/C13H10N2O2S/c1-7-4-3-5-9-11(7)12-10(6-14-9)15-13(17-12)18-8(2)16/h3-6H,1-2H3
InChI Key:
GFDAXPNYBORPND-UHFFFAOYSA-N
SMILES:
CC(=O)Sc1nc2c(o1)c1c(C)cccc1nc2
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.046g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.295g/mol
Monoisotopic Mass:
258.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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