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166328-55-8 | 1,3,4-Oxadiazole-2(3H)-thione, 5-(5-methoxy-3-methyl-1H-indol-2-yl)-
CAS No: 166328-55-8 Catalog No: AG001WMO MDL No:
Product Description
Catalog Number:
AG001WMO
Chemical Name:
1,3,4-Oxadiazole-2(3H)-thione, 5-(5-methoxy-3-methyl-1H-indol-2-yl)-
CAS Number:
166328-55-8
Molecular Formula:
C12H11N3O2S
Molecular Weight:
261.2996
IUPAC Name:
5-(5-methoxy-3-methyl-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione
InChI:
InChI=1S/C12H11N3O2S/c1-6-8-5-7(16-2)3-4-9(8)13-10(6)11-14-15-12(18)17-11/h3-5,13H,1-2H3,(H,15,18)
InChI Key:
WGBIECVMALERNJ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(C)c([nH]2)c1n[nH]c(=S)o1
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.057g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
261.299g/mol
Monoisotopic Mass:
261.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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