2-Cyclopentyl-2-(3,5-dimethoxy-phenyl)-[1,3]dithiolane

HCID 11645261
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Basic information

Standard SMILES
COc1cc(OC)cc(C2(C3CCCC3)SCCS2)c1
InChIKey
FEALXEAKSUZPRP-UHFFFAOYSA-N
Molecular formula
C16H22O2S2
Average molar mass
310.5 g/mol
Monoisotopic mass
310.10612229

Names & identifiers

Preferred name
2-Cyclopentyl-2-(3,5-dimethoxy-phenyl)-[1,3]dithiolane
IUPAC
2-cyclopentyl-2-(3,5-dimethoxyphenyl)-1,3-dithiolane

Names & synonyms

SCHEMBL1036258FEALXEAKSUZPRP-UHFFFAOYSA-N2-Cyclopentyl-2-(3,5-dimethoxy-phenyl)-[1,3]dithiolane

Database identifiers

PubChem CID
11645261

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
69.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
20

Related reactions

3 records
New reaction record

Linked notes

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