2-(2-Pinanylthio)-5-(octyldithio)-1,3,4-thiadiazole

HCID 14251069
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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

Related reactions

1 records
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Linked notes

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