2,2-dioxo-1H-thieno[3,2-c]thiazin-4-one

C6H5NO3S2 — CID 91811905

IUPAC2,2-dioxo-1H-thieno[3,2-c]thiazin-4-one
SMILESO=C1CS(=O)(=O)Nc2ccsc21
InChIInChI=1S/C6H5NO3S2/c8-5-3-12(9,10)7-4-1-2-11-6(4)5/h1-2,7H,3H2
InChIKeyHUMUTPNXWODXDQ-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.69
Rot. Bonds

About 2,2-dioxo-1H-thieno[3,2-c]thiazin-4-one

2,2-dioxo-1H-thieno[3,2-c]thiazin-4-one (PubChem CID 91811905) has the molecular formula C6H5NO3S2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2,2-dioxo-1H-thieno[3,2-c]thiazin-4-one.

Molecular Properties

Compound Name2,2-dioxo-1H-thieno[3,2-c]thiazin-4-one
PubChem CID91811905
Molecular FormulaC6H5NO3S2
Molecular Weight203.24 g/mol
Exact Mass202.97
IUPAC Name2,2-dioxo-1H-thieno[3,2-c]thiazin-4-one
SMILESO=C1CS(=O)(=O)Nc2ccsc21
InChIInChI=1S/C6H5NO3S2/c8-5-3-12(9,10)7-4-1-2-11-6(4)5/h1-2,7H,3H2
InChIKeyHUMUTPNXWODXDQ-UHFFFAOYSA-N
XLogP0.69
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dioxo-1H-thieno[3,2-c]thiazin-4-one?
The IUPAC name of 2,2-dioxo-1H-thieno[3,2-c]thiazin-4-one (CID 91811905) is 2,2-dioxo-1H-thieno[3,2-c]thiazin-4-one.
What is the SMILES notation for 2,2-dioxo-1H-thieno[3,2-c]thiazin-4-one?
The canonical SMILES for 2,2-dioxo-1H-thieno[3,2-c]thiazin-4-one is O=C1CS(=O)(=O)Nc2ccsc21.
What is the InChIKey of 2,2-dioxo-1H-thieno[3,2-c]thiazin-4-one?
The InChIKey is HUMUTPNXWODXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO3S2/c8-5-3-12(9,10)7-4-1-2-11-6(4)5/h1-2,7H,3H2.
What are the key properties of 2,2-dioxo-1H-thieno[3,2-c]thiazin-4-one?
2,2-dioxo-1H-thieno[3,2-c]thiazin-4-one has a molecular weight of 203.24 g/mol, XLogP of 0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dioxo-1H-thieno[3,2-c]thiazin-4-one is sourced from PubChem (CID 91811905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).