| CAS Number | 1251682-57-1 |
| Catalog Number | AG018G5Q(AGN-PC-0WBQ6N) |
| Chemical Name | 5-(4-(Ethylthio)benzyl)-1,3,4-oxadiazol-2-amine |
| IUPAC Name | 5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-amine |
| InChI | InChI=1S/C11H13N3OS/c1-2-16-9-5-3-8(4-6-9)7-10-13-14-11(12)15-10/h3-6H,2,7H2,1H3,(H2,12,14) |
| InChI Key | GTBHJYWPUAJADP-UHFFFAOYSA-N |
| MDL Number | MFCD20229783 |
| Molecular Formula | C11H13N3OS |
| Molecular Weight | 235.3054 |
| SMILES | CCSC1=CC=C(CC2OC(N)=NN=2)C=C1 |
| Synonyms | 5-(4-(ethylthio)benzyl)-1,3,4-oxadiazol-2-amine,
1251682-57-1,
ZINC56900935,
AKOS024627497,
MCULE-2985190797,
F2145-0291,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.305g/mol |
| Monoisotopic Mass | 235.078g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 90.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number