| CAS Number | 879683-41-7 |
| Catalog Number | AG019GR6(AGN-PC-0WCN52) |
| Chemical Name | Potassium 1,3-benzothiazole-2-carboxylate |
| IUPAC Name | potassium;1,3-benzothiazole-2-carboxylate |
| InChI | InChI=1S/C8H5NO2S.K/c10-8(11)7-9-5-3-1-2-4-6(5)12-7;/h1-4H,(H,10,11);/q;+1/p-1 |
| InChI Key | ZIFBPZXPKIMAML-UHFFFAOYSA-M |
| MDL Number | MFCD00723763 |
| Molecular Formula | C8H5KNO2S |
| Molecular Weight | 218.2941 |
| SMILES | [K].O=C(O)C1=NC=2C=CC=CC2S1 |
| Synonyms | potassium 1,3-benzothiazole-2-carboxylate,
879683-41-7,
AC1Q1TVW,
CTK5I4938,
AKOS001135410,
MCULE-1458390792,
potassium benzo[d]thiazole-2-carboxylate,
EN300-00881,
L-2519,
F2158-0561,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.283g/mol |
| Monoisotopic Mass | 216.96g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 81.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number