2,2'-Dithiobis[N-(2-hydroxybutyl)benzamide]
Basic information
- CAS
96835-55-1- Standard SMILES
CCC(O)CNC(=O)c1ccccc1SSc1ccccc1C(=O)NCC(O)CC- InChIKey
BOIPNRZERHMMCS-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-hydroxybutyl)benzamide]
- IUPAC
- N-(2-hydroxybutyl)-2-[[2-(2-hydroxybutylcarbamoyl)phenyl]disulfanyl]benzamide
Names & synonyms
96835-55-12,2'-Dithiobis[N-(2-hydroxybutyl)benzamide]2,2'-Dithiobis(N-(2-hydroxybutyl)benzamide)N-(2-hydroxybutyl)-2-[[2-(2-hydroxybutylcarbamoyl)phenyl]disulfanyl]benzamideCHEMBL53481DTXSID509142892,2'-Disulfanediylbis[N-(2-hydroxybutyl)benzene-1-carboximidic acid]
Database identifiers
- CAS
96835-55-1- PubChem CID
- 457490
- DTXSID
DTXSID50914289- ChEMBL
CHEMBL53481
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 491
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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