2,2'-Dithiobis(N-butylhydroxybenzamide)
Basic information
- CAS
78010-12-5- Standard SMILES
O=C(NCCCCO)c1ccccc1SSc1ccccc1C(=O)NCCCCO- InChIKey
YYBVLAGSGLITNU-UHFFFAOYSA-N- Molecular formula
- C22H28N2O4S2
- Average molar mass
- 448.6 g/mol
- Monoisotopic mass
- 448.14904973
Names & identifiers
- Preferred name
- 2,2'-Dithiobis(N-butylhydroxybenzamide)
- IUPAC
- N-(4-hydroxybutyl)-2-[[2-(4-hydroxybutylcarbamoyl)phenyl]disulfanyl]benzamide
Names & synonyms
2,2'-Dithiobis(N-butylhydroxybenzamide)78010-12-5CHEMBL52230SCHEMBL10789938DTXSID40999267N-(4-hydroxybutyl)-2-[[2-(4-hydroxybutylcarbamoyl)phenyl]disulfanyl]benzamide2,2'-Disulfanediylbis[N-(4-hydroxybutyl)benzene-1-carboximidic acid]
Database identifiers
- CAS
78010-12-5- PubChem CID
- 457487
- DTXSID
DTXSID40999267- ChEMBL
CHEMBL52230
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 466
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…