| CAS Number | 13189-17-8 |
| Catalog Number | AG01BTGG(AGN-PC-0NJ5EN) |
| Chemical Name | 2,2-dimethyl-3,4-dihydro-2H-1lambda4-benzothiopyran-1,4-dione |
| IUPAC Name | 2,2-dimethyl-1-oxo-3H-thiochromen-4-one |
| InChI | InChI=1S/C11H12O2S/c1-11(2)7-9(12)8-5-3-4-6-10(8)14(11)13/h3-6H,7H2,1-2H3 |
| InChI Key | WOOJHNTVFKIULA-UHFFFAOYSA-N |
| MDL Number | MFCD03236766 |
| Molecular Formula | C11H12O2S |
| Molecular Weight | 208.2768 |
| SMILES | CC1(S(=O)C2=C(C=CC=C2)C(=O)C1)C |
| Synonyms | 13189-17-8,
2,2-dimethyl-3,4-dihydro-2H-1lambda4-benzothiopyran-1,4-dione,
AKOS034015299,
2,2-dimethyl-4-oxothiochroman S-oxide,
Z2754290743,
2,2-dimethyl-2,3-dihydro-4H-1-benzothiopyran-4-one 1-oxide,
2,2-dimethyl-3,4-dihydro-2H-1lambda-benzothiopyran-1,4-dione,
2,2-dimethylthiochroman-4-one 1-oxide,
|
| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.275g/mol |
| Monoisotopic Mass | 208.056g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 53.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number