6-hydroxy-3-(6-hydroxy-2-oxothiochromene-3-carbonyl)thiochromen-2-one

C19H10O5S2 — CID 67008060

IUPAC6-hydroxy-3-(6-hydroxy-2-oxothiochromene-3-carbonyl)thiochromen-2-one
SMILESO=C(c1cc2cc(O)ccc2sc1=O)c1cc2cc(O)ccc2sc1=O
InChIInChI=1S/C19H10O5S2/c20-11-1-3-15-9(5-11)7-13(18(23)25-15)17(22)14-8-10-6-12(21)2-4-16(10)26-19(14)24/h1-8,20-21H
InChIKeyZNNBHJARSSXCTG-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.48
Rot. Bonds2

About 6-hydroxy-3-(6-hydroxy-2-oxothiochromene-3-carbonyl)thiochromen-2-one

6-hydroxy-3-(6-hydroxy-2-oxothiochromene-3-carbonyl)thiochromen-2-one (PubChem CID 67008060) has the molecular formula C19H10O5S2 and a molecular weight of 382.42 g/mol. Its IUPAC name is 6-hydroxy-3-(6-hydroxy-2-oxothiochromene-3-carbonyl)thiochromen-2-one.

Molecular Properties

Compound Name6-hydroxy-3-(6-hydroxy-2-oxothiochromene-3-carbonyl)thiochromen-2-one
PubChem CID67008060
Molecular FormulaC19H10O5S2
Molecular Weight382.42 g/mol
Exact Mass382.00
IUPAC Name6-hydroxy-3-(6-hydroxy-2-oxothiochromene-3-carbonyl)thiochromen-2-one
SMILESO=C(c1cc2cc(O)ccc2sc1=O)c1cc2cc(O)ccc2sc1=O
InChIInChI=1S/C19H10O5S2/c20-11-1-3-15-9(5-11)7-13(18(23)25-15)17(22)14-8-10-6-12(21)2-4-16(10)26-19(14)24/h1-8,20-21H
InChIKeyZNNBHJARSSXCTG-UHFFFAOYSA-N
XLogP3.48
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-(6-hydroxy-2-oxothiochromene-3-carbonyl)thiochromen-2-one?
The IUPAC name of 6-hydroxy-3-(6-hydroxy-2-oxothiochromene-3-carbonyl)thiochromen-2-one (CID 67008060) is 6-hydroxy-3-(6-hydroxy-2-oxothiochromene-3-carbonyl)thiochromen-2-one.
What is the SMILES notation for 6-hydroxy-3-(6-hydroxy-2-oxothiochromene-3-carbonyl)thiochromen-2-one?
The canonical SMILES for 6-hydroxy-3-(6-hydroxy-2-oxothiochromene-3-carbonyl)thiochromen-2-one is O=C(c1cc2cc(O)ccc2sc1=O)c1cc2cc(O)ccc2sc1=O.
What is the InChIKey of 6-hydroxy-3-(6-hydroxy-2-oxothiochromene-3-carbonyl)thiochromen-2-one?
The InChIKey is ZNNBHJARSSXCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10O5S2/c20-11-1-3-15-9(5-11)7-13(18(23)25-15)17(22)14-8-10-6-12(21)2-4-16(10)26-19(14)24/h1-8,20-21H.
What are the key properties of 6-hydroxy-3-(6-hydroxy-2-oxothiochromene-3-carbonyl)thiochromen-2-one?
6-hydroxy-3-(6-hydroxy-2-oxothiochromene-3-carbonyl)thiochromen-2-one has a molecular weight of 382.42 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-(6-hydroxy-2-oxothiochromene-3-carbonyl)thiochromen-2-one is sourced from PubChem (CID 67008060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).