2-(6-{4-n-Propylcyclohexyl}spiro[3.3]hept-2-ylidene)[1,3]dithiane

HCID 58596254
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Basic information

Standard SMILES
CCCC1CCC(C2CC3(CC(=C4SCCCS4)C3)C2)CC1
InChIKey
DPWULFUDWUYSSQ-UHFFFAOYSA-N
Molecular formula
C20H32S2
Average molar mass
336.6 g/mol

Names & identifiers

Preferred name
2-(6-{4-n-Propylcyclohexyl}spiro[3.3]hept-2-ylidene)[1,3]dithiane
IUPAC
2-[6-(4-propylcyclohexyl)spiro[3.3]heptan-2-ylidene]-1,3-dithiane

Names & synonyms

SCHEMBL5161231DPWULFUDWUYSSQ-UHFFFAOYSA-N2-(6-{4-n-Propylcyclohexyl}spiro[3.3]hept-2-ylidene)[1,3]dithiane

Database identifiers

PubChem CID
58596254

Properties

Computed structural properties

XLogP
7.3
Topological polar surface area
50.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
22

Related reactions

3 records
New reaction record

Compound notes

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