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

HCID 317690
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCC1(c2cc(OC)cc(OC)c2)SCCS1
InChIKey
QUNDIAPJUHDNPJ-UHFFFAOYSA-N
Molecular formula
C15H22O2S2
Average molar mass
298.5 g/mol

Names & identifiers

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

Names & synonyms

NSC250990SCHEMBL1039711QUNDIAPJUHDNPJ-UHFFFAOYSA-N2-BUTYL-2-(3,3-DITHIOLANENSC-2509902-Butyl-2-(3,5-dimethoxy-phenyl)-[1,3]dithiolane

Database identifiers

PubChem CID
317690

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
69.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
19

Related reactions

9 records
New reaction record

Compound notes

Loading…