| CAS Number | 154404-89-4 |
| Catalog Number | AG00J2N8 |
| Chemical Name | 2-(3-pyridinyl)-5,6-dihydro-1,3-benzothiazol-7(4H)-one |
| IUPAC Name | 2-pyridin-3-yl-5,6-dihydro-4H-1,3-benzothiazol-7-one |
| InChI | InChI=1S/C12H10N2OS/c15-10-5-1-4-9-11(10)16-12(14-9)8-3-2-6-13-7-8/h2-3,6-7H,1,4-5H2 |
| InChI Key | COKVUYJORMEUSU-UHFFFAOYSA-N |
| MDL Number | MFCD16677187 |
| Molecular Formula | C12H10N2OS |
| Molecular Weight | 230.2856 |
| SMILES | C12C(CCCC=1N=C(C1C=CC=NC=1)S2)=O |
| Synonyms | 2-(3-pyridinyl)-5,6-dihydro-1,3-benzothiazol-7(4H)-one,
154404-89-4,
ZX-CM010163,
MFCD16677187,
ZINC50329652,
AKOS011357697,
Y-7715,
4045135-25G,
4045135-50G,
2-(Pyridin-3-yl)-5,6-dihydrobenzo[d]thiazol-7(4H)-one,
2-(3-Pyridinyl)-5,6-dihydro-1,3-benzothiazol-7(4H)-one, AldrichCPR,
|
| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.285g/mol |
| Monoisotopic Mass | 230.051g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number