6-Hydroxy-7,7-dimethyl-4,7-dihydro-3H-1,2,5-dithiazepine-4-carboxylic acid
7,7-dimethyl-6-oxo-1,2,5-dithiazepane-4-carboxylic acid
Also Known As: AC1L1HRC|CCRIS 5263|SA 981|BRN 5526854|7,7-dimethyl-6-oxo-1,2,5-dithiazepane-4-carboxylic acid|(4R)-Tetrahydro-7,7-dimethyl-6-oxo-3H-1,2,5-dithiazepine-4-carboxylic acid|3H-1,2,5-DITHIAZEPINE-4-CARBOXYLIC ACID, TETRAHYDRO-7,7-DIMETHYL-6-OXO-, R-|6-Hydroxy-7,7-dimethyl-4,7-dihydro-3H-1,2,5-dithiazepine-4-carboxylic acid
| Molecular Formula | C7H11NO3S2 |
|---|---|
| Molecular Weight | 221.01804 g/mol |
| LogP | 0.73 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.01804 |
| Heavy Atoms | 13 |
| Complexity | 241.9 |
Chemical Identifiers
| CAS Number | 82017-48-9 |
|---|---|
| SMILES | CC1(C(=O)NC(CSS1)C(=O)O)C |
Product Overview
6-Hydroxy-7,7-dimethyl-4,7-dihydro-3H-1,2,5-dithiazepine-4-carboxylic acid (CAS 82017-48-9), with molecular formula C7H11NO3S2 and molecular weight 221.01804 g/mol. IUPAC: 7,7-dimethyl-6-oxo-1,2,5-dithiazepane-4-carboxylic acid.
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