Basic information
- CAS
36892-00-9- Standard SMILES
O=C(NCCCO)c1ccccc1SSc1ccccc1C(=O)NCCCO- InChIKey
YFCAIOHLFKWWGE-UHFFFAOYSA-N- Molecular formula
- C20H24N2O4S2
- Average molar mass
- 420.5 g/mol
- Monoisotopic mass
- 420.1177496
Names & identifiers
- Preferred name
- Benzamide, 2,2'-dithiobis(N-(3-hydroxypropyl)-
- IUPAC
- N-(3-hydroxypropyl)-2-[[2-(3-hydroxypropylcarbamoyl)phenyl]disulfanyl]benzamide
Names & synonyms
BRN 2189878Benzamide, 2,2'-dithiobis(N-(3-hydroxypropyl)-2,2'-Dithiobis(N-(3-hydroxypropyl)benzamide)36892-00-9DTXSID80190372RefChem:321237DTXCID901128632,2'-disulfanediylbis[n-(3-hydroxypropyl)benzamide]SCHEMBL10789194
Database identifiers
- CAS
36892-00-9- PubChem CID
- 215960
- DTXSID
DTXSID80190372- Nikkaji
- J2.072.782I
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 439
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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