| CAS Number | 613263-00-6 |
| Catalog Number | AG01ENJ9(AGN-PC-0T02Y2) |
| Chemical Name | 6-(2-Aminophenoxy)-1,2-benzisothiazol-3-aminedihydrochloride |
| IUPAC Name | 6-(2-aminophenoxy)-1,2-benzothiazol-3-amine;dihydrochloride |
| InChI | InChI=1S/C13H11N3OS.2ClH/c14-10-3-1-2-4-11(10)17-8-5-6-9-12(7-8)18-16-13(9)15;;/h1-7H,14H2,(H2,15,16);2*1H |
| InChI Key | SMTKPLISDFNJDJ-UHFFFAOYSA-N |
| MDL Number | MFCD30179737 |
| Molecular Formula | C13H13Cl2N3OS |
| Molecular Weight | 330.2328 |
| SMILES | S1C2=C(C=CC(OC3=CC=CC=C3N)=C2)C(N)=N1.[H]Cl.[H]Cl |
| Synonyms | 3-amino-6-(2-aminophenoxy)-1,2-benzisothiazole dihydrochloride,
M62812,
613263-00-6,
SCHEMBL3339904,
AKOS026745946,
M62812,
F9994-0487,
6-(2-Aminophenoxy)-1,2-benzisothiazol-3-amine dihydrochloride,
6-(2-Aminophenoxy)-1,2-benzisothiazol-3-aminedihydrochloride,
6-(2-aminophenoxy)-1,2-benzothiazol-3-amine dihydrochloride,
|
| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 329.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 330.227g/mol |
| Monoisotopic Mass | 329.016g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number