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96314-86-2 | Oxazolo[4,5-c]quinoline-2(3H)-thione, 7,9-dimethyl-
CAS No: 96314-86-2 Catalog No: AG006RZH MDL No:
Product Description
Catalog Number:
AG006RZH
Chemical Name:
Oxazolo[4,5-c]quinoline-2(3H)-thione, 7,9-dimethyl-
CAS Number:
96314-86-2
Molecular Formula:
C12H10N2OS
Molecular Weight:
230.2856
IUPAC Name:
7,9-dimethyl-3H-[1,3]oxazolo[4,5-c]quinoline-2-thione
InChI:
InChI=1S/C12H10N2OS/c1-6-3-7(2)10-8(4-6)13-5-9-11(10)15-12(16)14-9/h3-5H,1-2H3,(H,14,16)
InChI Key:
QIEZOSZYUARVBJ-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c2c(c1)ncc1c2oc(=S)[nH]1
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.285g/mol
Monoisotopic Mass:
230.051g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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