2,4-Dioxo-6-phenylthio-3-oxabicyclo[3.2.0]heptane

HCID 19794271
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Basic information

Standard SMILES
O=C1OC(=O)C2C(Sc3ccccc3)CC12
InChIKey
UGHURQIMKDISNN-UHFFFAOYSA-N
Molecular formula
C12H10O3S
Average molar mass
234.27 g/mol

Names & identifiers

Preferred name
2,4-Dioxo-6-phenylthio-3-oxabicyclo[3.2.0]heptane
IUPAC
6-phenylsulfanyl-3-oxabicyclo[3.2.0]heptane-2,4-dione

Names & synonyms

SCHEMBL9471255UGHURQIMKDISNN-UHFFFAOYSA-N2,4-dioxo-6-phenylthio-3-oxabicyclo[3.2.0]heptane

Database identifiers

PubChem CID
19794271

Properties

Computed structural properties

XLogP
2
Topological polar surface area
68.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
16

Related reactions

3 records
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Compound notes

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