| CAS Number | 101084-51-9 |
| Catalog Number | AG0003PE(AGN-PC-06IXUT) |
| Chemical Name | 1,3-Benzothiazole-6-carboxamide |
| IUPAC Name | 1,3-benzothiazole-6-carboxamide |
| InChI | InChI=1S/C8H6N2OS/c9-8(11)5-1-2-6-7(3-5)12-4-10-6/h1-4H,(H2,9,11) |
| InChI Key | IQFCJGFQUZORLM-UHFFFAOYSA-N |
| MDL Number | MFCD11643189 |
| Molecular Formula | C8H6N2OS |
| Molecular Weight | 178.2110 |
| SMILES | NC(=O)c1ccc2c(c1)scn2 |
| Synonyms | 101084-51-9,
6-Benzothiazolecarboxamide,
1,3-benzothiazole-6-carboxamide,
Benzothiazole-6-carboxamide,
benzo[d]thiazole-6-carboxamide,
MFCD11643189,
ACMC-20m45a,
SCHEMBL162869,
CTK0H2377,
DTXSID20655753,
IQFCJGFQUZORLM-UHFFFAOYSA-N,
ZINC37387411,
AKOS008937414,
MCULE-6321191672,
I14-33956,
F9995-0990,
6-Benzothiazolecarboxamide (6CI),
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| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.209g/mol |
| Monoisotopic Mass | 178.02g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 84.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number