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554423-26-6 | 5-[2-(thiophen-2-yl)quinolin-4-yl]-1,3,4-oxadiazole-2-thiol
CAS No: 554423-26-6 Catalog No: AG019HX4 MDL No:MFCD03980958
Product Description
Catalog Number:
AG019HX4
Chemical Name:
5-[2-(thiophen-2-yl)quinolin-4-yl]-1,3,4-oxadiazole-2-thiol
CAS Number:
554423-26-6
Molecular Formula:
C15H9N3OS2
Molecular Weight:
311.3815
MDL Number:
MFCD03980958
IUPAC Name:
5-(2-thiophen-2-ylquinolin-4-yl)-3H-1,3,4-oxadiazole-2-thione
InChI:
InChI=1S/C15H9N3OS2/c20-15-18-17-14(19-15)10-8-12(13-6-3-7-21-13)16-11-5-2-1-4-9(10)11/h1-8H,(H,18,20)
InChI Key:
MDFLBIKCAUPZQQ-UHFFFAOYSA-N
SMILES:
Sc1nnc(o1)c1cc(nc2c1cccc2)c1cccs1
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.019g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.377g/mol
Monoisotopic Mass:
311.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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