| CAS Number | 1016504-27-0 |
| Catalog Number | AG0191N1(AGN-PC-0WBQ9L) |
| Chemical Name | 5-(4-methanesulfonylphenyl)-1,3,4-oxadiazol-2-amine |
| IUPAC Name | 5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-amine |
| InChI | InChI=1S/C9H9N3O3S/c1-16(13,14)7-4-2-6(3-5-7)8-11-12-9(10)15-8/h2-5H,1H3,(H2,10,12) |
| InChI Key | PDVGZROAOOHWJU-UHFFFAOYSA-N |
| MDL Number | MFCD09815338 |
| Molecular Formula | C9H9N3O3S |
| Molecular Weight | 239.2511 |
| SMILES | CS(C1=CC=C(C2OC(N)=NN=2)C=C1)(=O)=O |
| Synonyms | 5-[4-(methylsulfonyl)phenyl]-1,3,4-oxadiazol-2-amine,
1016504-27-0,
5-(4-methanesulfonylphenyl)-1,3,4-oxadiazol-2-amine,
5-(4-(methylsulfonyl)phenyl)-1,3,4-oxadiazol-2-amine,
AC1Q4GI8,
CTK7E1440,
ZINC19276257,
AKOS000157381,
AKOS008101047,
MCULE-2877357006,
EN300-68977,
L-3104,
F2182-0014,
Z1263714155,
|
| Complexity | 332 |
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number