| CAS Number | 1105193-94-9 |
| Catalog Number | AG01ART4 |
| Chemical Name | 5-[2-(Methylsulfonyl)phenyl]-1,3,4-oxadiazol-2-amine |
| IUPAC Name | 5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-amine |
| InChI | InChI=1S/C9H9N3O3S/c1-16(13,14)7-5-3-2-4-6(7)8-11-12-9(10)15-8/h2-5H,1H3,(H2,10,12) |
| InChI Key | OIGWQQSGEQSQPU-UHFFFAOYSA-N |
| MDL Number | MFCD11986952 |
| Molecular Formula | C9H9N3O3S |
| Molecular Weight | 239.2511 |
| SMILES | CS(=O)(=O)C1=C(C=CC=C1)C1=NN=C(O1)N |
| Synonyms | 5-[2-(methylsulfonyl)phenyl]-1,3,4-oxadiazol-2-amine,
1105193-94-9,
ZINC26423865,
AKOS005207614,
MCULE-9138467328,
5-(2-methanesulfonylphenyl)-1,3,4-oxadiazol-2-amine,
F2182-0016,
|
| Complexity | 340 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.249g/mol |
| Monoisotopic Mass | 239.036g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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