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Home > Imidazoles > 1803590-75-1
1803590-75-1 | 5-[1-(pyrazin-2-yl)-1H-imidazol-4-yl]-1,3,4-oxadiazole-2-thiol
CAS No: 1803590-75-1 Catalog No: AG01BED8 MDL No:MFCD28118337
Product Description
Catalog Number:
AG01BED8
Chemical Name:
5-[1-(pyrazin-2-yl)-1H-imidazol-4-yl]-1,3,4-oxadiazole-2-thiol
CAS Number:
1803590-75-1
Molecular Formula:
C9H6N6OS
Molecular Weight:
246.2485
MDL Number:
MFCD28118337
IUPAC Name:
5-(1-pyrazin-2-ylimidazol-4-yl)-3H-1,3,4-oxadiazole-2-thione
InChI:
InChI=1S/C9H6N6OS/c17-9-14-13-8(16-9)6-4-15(5-12-6)7-3-10-1-2-11-7/h1-5H,(H,14,17)
InChI Key:
OANRMGOTSPWRSM-UHFFFAOYSA-N
SMILES:
Sc1nnc(o1)c1ncn(c1)c1cnccn1
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.032g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.248g/mol
Monoisotopic Mass:
246.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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