1,1-dioxo-2H-thiopyrano[3,2-b]chromen-10-one

C12H8O4S — CID 174814629

IUPAC1,1-dioxo-2H-thiopyrano[3,2-b]chromen-10-one
SMILESO=c1c2c(oc3ccccc13)C=CCS2(=O)=O
InChIInChI=1S/C12H8O4S/c13-11-8-4-1-2-5-9(8)16-10-6-3-7-17(14,15)12(10)11/h1-6H,7H2
InChIKeyUPZVWPFBCRYJJC-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.59
Rot. Bonds

About 1,1-dioxo-2H-thiopyrano[3,2-b]chromen-10-one

1,1-dioxo-2H-thiopyrano[3,2-b]chromen-10-one (PubChem CID 174814629) has the molecular formula C12H8O4S and a molecular weight of 248.26 g/mol. Its IUPAC name is 1,1-dioxo-2H-thiopyrano[3,2-b]chromen-10-one.

Molecular Properties

Compound Name1,1-dioxo-2H-thiopyrano[3,2-b]chromen-10-one
PubChem CID174814629
Molecular FormulaC12H8O4S
Molecular Weight248.26 g/mol
Exact Mass248.01
IUPAC Name1,1-dioxo-2H-thiopyrano[3,2-b]chromen-10-one
SMILESO=c1c2c(oc3ccccc13)C=CCS2(=O)=O
InChIInChI=1S/C12H8O4S/c13-11-8-4-1-2-5-9(8)16-10-6-3-7-17(14,15)12(10)11/h1-6H,7H2
InChIKeyUPZVWPFBCRYJJC-UHFFFAOYSA-N
XLogP1.59
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-2H-thiopyrano[3,2-b]chromen-10-one?
The IUPAC name of 1,1-dioxo-2H-thiopyrano[3,2-b]chromen-10-one (CID 174814629) is 1,1-dioxo-2H-thiopyrano[3,2-b]chromen-10-one.
What is the SMILES notation for 1,1-dioxo-2H-thiopyrano[3,2-b]chromen-10-one?
The canonical SMILES for 1,1-dioxo-2H-thiopyrano[3,2-b]chromen-10-one is O=c1c2c(oc3ccccc13)C=CCS2(=O)=O.
What is the InChIKey of 1,1-dioxo-2H-thiopyrano[3,2-b]chromen-10-one?
The InChIKey is UPZVWPFBCRYJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O4S/c13-11-8-4-1-2-5-9(8)16-10-6-3-7-17(14,15)12(10)11/h1-6H,7H2.
What are the key properties of 1,1-dioxo-2H-thiopyrano[3,2-b]chromen-10-one?
1,1-dioxo-2H-thiopyrano[3,2-b]chromen-10-one has a molecular weight of 248.26 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-2H-thiopyrano[3,2-b]chromen-10-one is sourced from PubChem (CID 174814629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).