Basic information
- CAS
87202-71-9- Standard SMILES
CCCCCCCC(=O)Nc1nnc(SCCCCCCCCCCCCSc2nnc(NC(=O)CCCCCCC)s2)s1- InChIKey
CCWBBVRSPAHVSA-UHFFFAOYSA-N- Molecular formula
- C32H56N6O2S4
- Average molar mass
- 685.1 g/mol
- Monoisotopic mass
- 684.33475974
Names & identifiers
- Preferred name
- N,N'-[Dodecane-1,12-diylbis(sulfanediyl-1,3,4-thiadiazole-5,2-diyl)]dioctanamide
- IUPAC
- N-[5-[12-[[5-(octanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]dodecylsulfanyl]-1,3,4-thiadiazol-2-yl]octanamide
Names & synonyms
87202-71-9NSC360371DTXSID70320500NSC-360371N,N'-[Dodecane-1,12-diylbis(sulfanediyl-1,3,4-thiadiazole-5,2-diyl)]dioctanamide
Database identifiers
- CAS
87202-71-9- PubChem CID
- 338366
- DTXSID
DTXSID70320500
Properties
Computed structural properties
- XLogP
- 11.9
- Topological polar surface area
- 217 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 29
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 668
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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