| CAS Number | 2138288-21-6 |
| Catalog Number | AG01ELE5 |
| Chemical Name | 6-chloro-4,4-dimethyl-3,4-dihydro-2H-1lambda6-benzothiopyran-1,1-dione |
| IUPAC Name | 6-chloro-4,4-dimethyl-2,3-dihydrothiochromene 1,1-dioxide |
| InChI | InChI=1S/C11H13ClO2S/c1-11(2)5-6-15(13,14)10-4-3-8(12)7-9(10)11/h3-4,7H,5-6H2,1-2H3 |
| InChI Key | AAYXIJCGCXHODG-UHFFFAOYSA-N |
| MDL Number | MFCD31447129 |
| Molecular Formula | C11H13ClO2S |
| Molecular Weight | 244.7377 |
| SMILES | CC1(C2=C(C=CC(=C2)Cl)S(=O)(=O)CC1)C |
| Synonyms | 6-chloro-4,4-dimethyl-3,4-dihydro-2H-1lambda6-benzothiopyran-1,1-dione,
2138288-21-6,
|
| Complexity | 342 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.733g/mol |
| Monoisotopic Mass | 244.032g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Lot Number