5-(2-Cyclopentyl-[1,3]dithiolan-2-yl)-benzene-1,3-diol

HCID 11543740
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Basic information

Standard SMILES
Oc1cc(O)cc(C2(C3CCCC3)SCCS2)c1
InChIKey
KLIRFCGAEUANEH-UHFFFAOYSA-N
Molecular formula
C14H18O2S2
Average molar mass
282.4 g/mol

Names & identifiers

Preferred name
5-(2-Cyclopentyl-[1,3]dithiolan-2-yl)-benzene-1,3-diol
IUPAC
5-(2-cyclopentyl-1,3-dithiolan-2-yl)benzene-1,3-diol

Names & synonyms

SCHEMBL1037032KLIRFCGAEUANEH-UHFFFAOYSA-N5-(2-Cyclopentyl-[1,3]dithiolan-2-yl)-benzene-1,3-diol

Database identifiers

PubChem CID
11543740

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
91.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
18

Related reactions

1 records
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Compound notes

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