5,5-dioxo-4H-furo[2,3-d]thiazin-7-one

C6H5NO4S — CID 130817060

IUPAC5,5-dioxo-4H-furo[2,3-d]thiazin-7-one
SMILESO=C1NS(=O)(=O)Cc2ccoc21
InChIInChI=1S/C6H5NO4S/c8-6-5-4(1-2-11-5)3-12(9,10)7-6/h1-2H,3H2,(H,7,8)
InChIKeyGHHXPHNNFHVROQ-UHFFFAOYSA-N
MW187.18 g/mol
LogP-0.15
Rot. Bonds

About 5,5-dioxo-4H-furo[2,3-d]thiazin-7-one

5,5-dioxo-4H-furo[2,3-d]thiazin-7-one (PubChem CID 130817060) has the molecular formula C6H5NO4S and a molecular weight of 187.18 g/mol. Its IUPAC name is 5,5-dioxo-4H-furo[2,3-d]thiazin-7-one.

Molecular Properties

Compound Name5,5-dioxo-4H-furo[2,3-d]thiazin-7-one
PubChem CID130817060
Molecular FormulaC6H5NO4S
Molecular Weight187.18 g/mol
Exact Mass186.99
IUPAC Name5,5-dioxo-4H-furo[2,3-d]thiazin-7-one
SMILESO=C1NS(=O)(=O)Cc2ccoc21
InChIInChI=1S/C6H5NO4S/c8-6-5-4(1-2-11-5)3-12(9,10)7-6/h1-2H,3H2,(H,7,8)
InChIKeyGHHXPHNNFHVROQ-UHFFFAOYSA-N
XLogP-0.15
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.18
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5-dioxo-4H-furo[2,3-d]thiazin-7-one?
The IUPAC name of 5,5-dioxo-4H-furo[2,3-d]thiazin-7-one (CID 130817060) is 5,5-dioxo-4H-furo[2,3-d]thiazin-7-one.
What is the SMILES notation for 5,5-dioxo-4H-furo[2,3-d]thiazin-7-one?
The canonical SMILES for 5,5-dioxo-4H-furo[2,3-d]thiazin-7-one is O=C1NS(=O)(=O)Cc2ccoc21.
What is the InChIKey of 5,5-dioxo-4H-furo[2,3-d]thiazin-7-one?
The InChIKey is GHHXPHNNFHVROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO4S/c8-6-5-4(1-2-11-5)3-12(9,10)7-6/h1-2H,3H2,(H,7,8).
What are the key properties of 5,5-dioxo-4H-furo[2,3-d]thiazin-7-one?
5,5-dioxo-4H-furo[2,3-d]thiazin-7-one has a molecular weight of 187.18 g/mol, XLogP of -0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dioxo-4H-furo[2,3-d]thiazin-7-one is sourced from PubChem (CID 130817060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).