2,2'-Dithiobis(N-(2-ethylhexyl)benzamide)
Basic information
- CAS
88848-47-9- Standard SMILES
CCCCC(CC)CNC(=O)c1ccccc1SSc1ccccc1C(=O)NCC(CC)CCCC- InChIKey
BSYRXGVHBHLECM-UHFFFAOYSA-N- Molecular formula
- C30H44N2O2S2
- Average molar mass
- 528.8 g/mol
- Monoisotopic mass
- 528.284421
Names & identifiers
- Preferred name
- 2,2'-Dithiobis(N-(2-ethylhexyl)benzamide)
- IUPAC
- N-(2-ethylhexyl)-2-[[2-(2-ethylhexylcarbamoyl)phenyl]disulfanyl]benzamide
Names & synonyms
88848-47-92,2'-Dithiobis(N-(2-ethylhexyl)benzamide)2,2'-Dithiobis[N-(2-ethylhexyl)benzamide]CHEMBL48544DTXSID601008528N-(2-ethylhexyl)-2-[[2-(2-ethylhexylcarbamoyl)phenyl]disulfanyl]benzamide2,2'-Disulfanediylbis[N-(2-ethylhexyl)benzene-1-carboximidic acid]
Database identifiers
- CAS
88848-47-9- PubChem CID
- 457461
- DTXSID
DTXSID601008528- ChEMBL
CHEMBL48544
Properties
Computed structural properties
- XLogP
- 8.8
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 17
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 566
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Compound notes
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