| CAS Number | 333992-22-6 |
| Catalog Number | AG01ASCA(AGN-PC-0WOI08) |
| Chemical Name | 2-(Piperidin-4-ylthio)benzo[d]thiazole hydrochloride |
| IUPAC Name | 2-piperidin-4-ylsulfanyl-1,3-benzothiazole;hydrochloride |
| InChI | InChI=1S/C12H14N2S2.ClH/c1-2-4-11-10(3-1)14-12(16-11)15-9-5-7-13-8-6-9;/h1-4,9,13H,5-8H2;1H |
| InChI Key | QQZSWVKSVRYFDS-UHFFFAOYSA-N |
| MDL Number | MFCD11559911 |
| Molecular Formula | C12H15ClN2S2 |
| Molecular Weight | 286.8439 |
| SMILES | Cl.C1NCCC(SC2SC3=C(C=CC=C3)N=2)C1 |
| Synonyms | 333992-22-6,
2-(piperidin-4-ylthio)benzo[d]thiazole hydrochloride,
2-(Piperidin-4-ylthio)benzo[d]thiazole HCl,
SCHEMBL4768521,
MFCD11559911,
AKOS022213450,
AS-45280,
F2167-0451,
2-(piperidin-4-ylsulfanyl)-1,3-benzothiazole hydrochloride,
2-piperidin-4-ylsulfanyl-1,3-benzothiazole;hydrochloride,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.836g/mol |
| Monoisotopic Mass | 286.037g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number