2-(Hydroxymethyl)-2,3-dihydronaphtho[1,2-b][1,4]oxathiine-5,6-dione

HCID 57775489
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Basic information

Standard SMILES
O=C1C(=O)c2ccccc2C2=C1SCC(CO)O2
InChIKey
UQFSRVGBTSJMML-UHFFFAOYSA-N
Molecular formula
C13H10O4S
Average molar mass
262.28 g/mol

Names & identifiers

Preferred name
2-(Hydroxymethyl)-2,3-dihydronaphtho[1,2-b][1,4]oxathiine-5,6-dione
IUPAC
2-(hydroxymethyl)-2,3-dihydrobenzo[h][1,4]benzoxathiine-5,6-dione

Names & synonyms

SCHEMBL1360065UQFSRVGBTSJMML-UHFFFAOYSA-N2-(hydroxymethyl)-2,3-dihydronaphtho[1,2-b][1,4]oxathiine-5,6-dione

Database identifiers

PubChem CID
57775489

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
88.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
18

Related reactions

6 records
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Compound notes

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