| CAS Number | 80689-19-6 |
| Catalog Number | AG00GQVI(AGN-PC-0NK7H4) |
| Chemical Name | 2(3H)-Benzothiazolone,7-methyl-(9CI) |
| IUPAC Name | 7-methyl-3H-1,3-benzothiazol-2-one |
| InChI | InChI=1S/C8H7NOS/c1-5-3-2-4-6-7(5)11-8(10)9-6/h2-4H,1H3,(H,9,10) |
| InChI Key | CPCWRGPJUDZREC-UHFFFAOYSA-N |
| MDL Number | MFCD09749254 |
| Molecular Formula | C8H7NOS |
| Molecular Weight | 165.2123 |
| SMILES | CC1=CC=CC=2NC(SC21)=O |
| Synonyms | 7-Methylbenzo[d]thiazol-2(3H)-one,
80689-19-6,
7-methyl-2,3-dihydro-1,3-benzothiazol-2-one,
2(3H)-Benzothiazolone,7-methyl-(9CI),
SCHEMBL11343083,
ZINC45237228,
AKOS006327514,
Z2255110160,
2 -Benzothiazolone,7-methyl-,
2(3H)-Benzothiazolone, 7-methyl- (9CI),
7-Methylbenzo[d]thiazol-2(3H)-one, 97% - 10MG 10mg,
N/A,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.21g/mol |
| Monoisotopic Mass | 165.025g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number