| CAS Number | 2173232-79-4 |
| Catalog Number | AG01EO2J(AGN-PC-3H465D) |
| Chemical Name | LOM612 |
| IUPAC Name | 3-(dimethylamino)benzo[f][1,2]benzothiazole-4,9-dione |
| InChI | InChI=1S/C13H10N2O2S/c1-15(2)13-9-10(16)7-5-3-4-6-8(7)11(17)12(9)18-14-13/h3-6H,1-2H3 |
| InChI Key | LMNFZYAIQJKFFX-UHFFFAOYSA-N |
| MDL Number | MFCD31715408 |
| Molecular Formula | C13H10N2O2S |
| Molecular Weight | 258.2957 |
| SMILES | C1C=C2C(=O)C3C(N(C)C)=NSC=3C(=O)C2=CC=1 |
| Synonyms | 3-dimethylaminonaphtho(2,3-d)isothiazole-4,9-dione,
LOM612,
LOM612,
2173232-79-4,
HY-101035,
CS-0020741,
|
| Complexity | 385 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.295g/mol |
| Monoisotopic Mass | 258.046g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 78.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number