| CAS Number | 1016707-88-2 |
| Catalog Number | AG019XLI(AGN-PC-0WO684) |
| Chemical Name | 5-(5-Methylthiophen-2-yl)-1,3,4-oxadiazol-2-amine |
| IUPAC Name | 5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-amine |
| InChI | InChI=1S/C7H7N3OS/c1-4-2-3-5(12-4)6-9-10-7(8)11-6/h2-3H,1H3,(H2,8,10) |
| InChI Key | TYDKYPGJOIQJNI-UHFFFAOYSA-N |
| MDL Number | MFCD09804507 |
| Molecular Formula | C7H7N3OS |
| Molecular Weight | 181.2150 |
| SMILES | CC1SC(C2OC(N)=NN=2)=CC=1 |
| Synonyms | 5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-amine,
1016707-88-2,
AC1Q2N0B,
CTK7E1442,
AOD100046,
ZINC19412757,
AKOS000165676,
MCULE-1325759584,
NE14472,
BB 0238298,
EN300-55324,
AB01007447-01,
Z234894117,
5-(5-Methyl-thiophen-2-yl)-[1,3,4]oxadiazol-2- ylamine,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.213g/mol |
| Monoisotopic Mass | 181.031g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 93.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number