3-(2-oxothiochromen-3-yl)sulfonylchromen-2-one

C18H10O5S2 — CID 11675097

IUPAC3-(2-oxothiochromen-3-yl)sulfonylchromen-2-one
SMILESO=c1oc2ccccc2cc1S(=O)(=O)c1cc2ccccc2sc1=O
InChIInChI=1S/C18H10O5S2/c19-17-15(9-11-5-1-3-7-13(11)23-17)25(21,22)16-10-12-6-2-4-8-14(12)24-18(16)20/h1-10H
InChIKeyBEFFXFGRGBATDT-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.20
Rot. Bonds2

About 3-(2-oxothiochromen-3-yl)sulfonylchromen-2-one

3-(2-oxothiochromen-3-yl)sulfonylchromen-2-one (PubChem CID 11675097) has the molecular formula C18H10O5S2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 3-(2-oxothiochromen-3-yl)sulfonylchromen-2-one.

Molecular Properties

Compound Name3-(2-oxothiochromen-3-yl)sulfonylchromen-2-one
PubChem CID11675097
Molecular FormulaC18H10O5S2
Molecular Weight370.41 g/mol
Exact Mass370.00
IUPAC Name3-(2-oxothiochromen-3-yl)sulfonylchromen-2-one
SMILESO=c1oc2ccccc2cc1S(=O)(=O)c1cc2ccccc2sc1=O
InChIInChI=1S/C18H10O5S2/c19-17-15(9-11-5-1-3-7-13(11)23-17)25(21,22)16-10-12-6-2-4-8-14(12)24-18(16)20/h1-10H
InChIKeyBEFFXFGRGBATDT-UHFFFAOYSA-N
XLogP3.20
TPSA81.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxothiochromen-3-yl)sulfonylchromen-2-one?
The IUPAC name of 3-(2-oxothiochromen-3-yl)sulfonylchromen-2-one (CID 11675097) is 3-(2-oxothiochromen-3-yl)sulfonylchromen-2-one.
What is the SMILES notation for 3-(2-oxothiochromen-3-yl)sulfonylchromen-2-one?
The canonical SMILES for 3-(2-oxothiochromen-3-yl)sulfonylchromen-2-one is O=c1oc2ccccc2cc1S(=O)(=O)c1cc2ccccc2sc1=O.
What is the InChIKey of 3-(2-oxothiochromen-3-yl)sulfonylchromen-2-one?
The InChIKey is BEFFXFGRGBATDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10O5S2/c19-17-15(9-11-5-1-3-7-13(11)23-17)25(21,22)16-10-12-6-2-4-8-14(12)24-18(16)20/h1-10H.
What are the key properties of 3-(2-oxothiochromen-3-yl)sulfonylchromen-2-one?
3-(2-oxothiochromen-3-yl)sulfonylchromen-2-one has a molecular weight of 370.41 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxothiochromen-3-yl)sulfonylchromen-2-one is sourced from PubChem (CID 11675097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).