| CAS Number | 1251924-63-6 |
| Catalog Number | AG01AA3H |
| Chemical Name | 2-(4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-one |
| IUPAC Name | 2-(4-methylphenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one |
| InChI | InChI=1S/C14H13NOS/c1-9-5-7-10(8-6-9)14-15-11-3-2-4-12(16)13(11)17-14/h5-8H,2-4H2,1H3 |
| InChI Key | DOIKXGZAVXQATN-UHFFFAOYSA-N |
| MDL Number | MFCD16817558 |
| Molecular Formula | C14H13NOS |
| Molecular Weight | 243.3241 |
| SMILES | CC1=CC=C(C2SC3=C(CCCC3=O)N=2)C=C1 |
| Synonyms | 2-(4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-one,
1251924-63-6,
AC1Q2K6Q,
ZINC50329663,
AKOS006045462,
MCULE-7485393071,
NE16112,
EN300-66923,
Z1258943289,
|
| Complexity | 299 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.324g/mol |
| Monoisotopic Mass | 243.072g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
Lot Number