| CAS Number | 1350988-83-8 |
| Catalog Number | AG01APJ5 |
| Chemical Name | 5-(1,3-Benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine |
| IUPAC Name | 5-(1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine |
| InChI | InChI=1S/C9H6N4OS/c10-9-13-12-7(14-9)8-11-5-3-1-2-4-6(5)15-8/h1-4H,(H2,10,13) |
| InChI Key | IBFZVUMZCVQSDP-UHFFFAOYSA-N |
| MDL Number | MFCD23695363 |
| Molecular Formula | C9H6N4OS |
| Molecular Weight | 218.2351 |
| SMILES | NC1OC(C2SC3=C(C=CC=C3)N=2)=NN=1 |
| Synonyms | 5-(1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine,
1350988-83-8,
AOD101082,
ZINC74934410,
AKOS026715427,
2-(r-amino)-5-(2-benzothiazolyl)-1,3,4-oxadiazole,
F2145-0845,
Z1681340030,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.234g/mol |
| Monoisotopic Mass | 218.026g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 106A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number