| CAS Number | 1787855-34-8 |
| Catalog Number | AG01BF58(AGN-PC-0WOSPP) |
| Chemical Name | 7,7-Dimethyl-1lambda(6),4-thiazepane-1,1-dione hydrochloride |
| IUPAC Name | 7,7-dimethyl-1,4-thiazepane 1,1-dioxide;hydrochloride |
| InChI | InChI=1S/C7H15NO2S.ClH/c1-7(2)3-4-8-5-6-11(7,9)10;/h8H,3-6H2,1-2H3;1H |
| InChI Key | SKRLWGMYVOOHPM-UHFFFAOYSA-N |
| MDL Number | MFCD28118493 |
| Molecular Formula | C7H16ClNO2S |
| Molecular Weight | 213.7254 |
| SMILES | Cl.CC1(S(=O)(=O)CCNCC1)C |
| Synonyms | 1787855-34-8,
7,7-dimethyl-1,4-thiazepane 1,1-dioxide hydrochloride,
AKOS026742622,
Z1889710314,
7,7-dimethyl-1lambda,4-thiazepane-1,1-dione hydrochloride,
7,7-dimethyl-1lambda6,4-thiazepane-1,1-dione hydrochloride,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.72g/mol |
| Monoisotopic Mass | 213.059g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number