Bucillamine disulfide
Basic information
- CAS
82017-48-9- Standard SMILES
CC1(C)SSC[C@@H](C(=O)O)NC1=O- InChIKey
AXMCBAWKHOPUEZ-BYPYZUCNSA-N- Molecular formula
- C7H11NO3S2
- Average molar mass
- 221.3 g/mol
- Monoisotopic mass
- 221.01803556
Overview
structure in first source
Names & identifiers
- Preferred name
- Bucillamine disulfide
- IUPAC
- (4R)-7,7-dimethyl-6-oxo-1,2,5-dithiazepane-4-carboxylic acid
Names & synonyms
Bucillamine disulfideSA-98182017-48-9SA981 cpdRefChem:121814(4R)-Tetrahydro-7,7-dimethyl-6-oxo-3H-1,2,5-dithiazepine-4-carboxylic acidCCRIS 5263SA 981BRN 5526854SCHEMBL94877013H-1,2,5-DITHIAZEPINE-4-CARBOXYLIC ACID, TETRAHYDRO-7,7-DIMETHYL-6-OXO-, R-(4r)-7,7-dimethyl-6-oxo-tetrahydro-3h-1,2,5-dithiazepine-4-carboxylic acid
Database identifiers
- CAS
82017-48-9- PubChem CID
- 13041009
- Nikkaji
- J413.576H
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 242
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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