| CAS Number | 760910-22-3 |
| Catalog Number | AG01EIBO |
| Chemical Name | 5,7-dimethoxy-2,3-dihydro-1,3-benzothiazol-2-imine |
| IUPAC Name | 5,7-dimethoxy-1,3-benzothiazol-2-amine |
| InChI | InChI=1S/C9H10N2O2S/c1-12-5-3-6-8(7(4-5)13-2)14-9(10)11-6/h3-4H,1-2H3,(H2,10,11) |
| InChI Key | JRMYWSGFZFQJGS-UHFFFAOYSA-N |
| MDL Number | MFCD31617081 |
| Molecular Formula | C9H10N2O2S |
| Molecular Weight | 210.2529 |
| SMILES | COC1=CC2=C(SC(N2)=N)C(OC)=C1 |
| Synonyms | 5,7-dimethoxy-1,3-benzothiazol-2-amine,
SCHEMBL10586695,
AKOS005205907,
760910-22-3,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.251g/mol |
| Monoisotopic Mass | 210.046g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 85.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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