2-(2-Pinanylthio)-5-(octyldithio)-1,3,4-thiadiazole
Basic information
- Standard SMILES
CCCCCCCCSSc1nnc(SC2(C)CCC3CC2C3(C)C)s1- InChIKey
XRKFEQCTQNRHCP-UHFFFAOYSA-N- Molecular formula
- C20H34N2S4
- Average molar mass
- 430.8 g/mol
Names & identifiers
- Preferred name
- 2-(2-Pinanylthio)-5-(octyldithio)-1,3,4-thiadiazole
- IUPAC
- 2-(octyldisulfanyl)-5-[(2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)sulfanyl]-1,3,4-thiadiazole
Names & synonyms
SCHEMBL9517467XRKFEQCTQNRHCP-UHFFFAOYSA-N2-(2-Pinanylthio)-5-(octyldithio)-1,3,4-thiadiazole
Database identifiers
- PubChem CID
- 14251069
Properties
Computed structural properties
- XLogP
- 8.1
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 448
Related reactions
1 records
Compound notes
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