5-(4H-benzo[d][1,3]dithiin-2-yl)-2,3-dimethoxyphenol

HCID 57750889
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Basic information

Standard SMILES
COc1cc(C2SCc3ccccc3S2)cc(O)c1OC
InChIKey
QOJOZPICWADYHX-UHFFFAOYSA-N
Molecular formula
C16H16O3S2
Average molar mass
320.4 g/mol

Names & identifiers

Preferred name
5-(4H-benzo[d][1,3]dithiin-2-yl)-2,3-dimethoxyphenol
IUPAC
5-(4H-1,3-benzodithiin-2-yl)-2,3-dimethoxyphenol

Names & synonyms

SCHEMBL4013142QOJOZPICWADYHX-UHFFFAOYSA-N5-(4H-benzo[d][1,3]dithiin-2-yl)-2,3-dimethoxyphenol

Database identifiers

PubChem CID
57750889

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
89.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
21

Related reactions

2 records
New reaction record

Linked notes

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