2,2'-Dithiobis(N-(2,2-dimethylhydroxyethyl)benzamide)
Basic information
- CAS
96835-56-2- Standard SMILES
CC(C)(CO)NC(=O)c1ccccc1SSc1ccccc1C(=O)NC(C)(C)CO- InChIKey
MTWJMYYEMYEHPO-UHFFFAOYSA-N- Molecular formula
- C22H28N2O4S2
- Average molar mass
- 448.6 g/mol
- Monoisotopic mass
- 448.14904973
Names & identifiers
- Preferred name
- 2,2'-Dithiobis(N-(2,2-dimethylhydroxyethyl)benzamide)
- IUPAC
- N-(1-hydroxy-2-methylpropan-2-yl)-2-[[2-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl]disulfanyl]benzamide
Names & synonyms
2,2'-Dithiobis(N-(2,2-dimethylhydroxyethyl)benzamide)96835-56-22,2'-Dithiobis[N-(2,2-dimethylhydroxyethyl)benzamide]CHEMBL50186DTXSID202425812,2'-Disulfanediylbis[N-(1-hydroxy-2-methylpropan-2-yl)benzamide]N-(2-hydroxy-1,1-dimethyl-ethyl)-2-[[2-[(2-hydroxy-1,1-dimethyl-ethyl)carbamoyl]phenyl]disulfanyl]benzamide
Database identifiers
- CAS
96835-56-2- PubChem CID
- 457489
- DTXSID
DTXSID20242581- ChEMBL
CHEMBL50186
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 535
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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