| CAS Number | 17583-16-3 |
| Catalog Number | AG01AA8I |
| Chemical Name | 2-(4-Methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-one |
| IUPAC Name | 2-(4-methoxyphenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one |
| InChI | InChI=1S/C14H13NO2S/c1-17-10-7-5-9(6-8-10)14-15-11-3-2-4-12(16)13(11)18-14/h5-8H,2-4H2,1H3 |
| InChI Key | SLOHPGRIBDOXKE-UHFFFAOYSA-N |
| MDL Number | MFCD16990668 |
| Molecular Formula | C14H13NO2S |
| Molecular Weight | 259.3235 |
| SMILES | COC1=CC=C(C2SC3=C(CCCC3=O)N=2)C=C1 |
| Synonyms | 2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-one,
17583-16-3,
AC1Q4AC5,
ZINC50329687,
AKOS011357502,
MCULE-5238043767,
NE21177,
EN300-67451,
Z1258943290,
|
| Complexity | 315 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.323g/mol |
| Monoisotopic Mass | 259.067g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number