2-methyl-1,1-dioxothieno[2,3-d][1,2]thiazol-3-one

C6H5NO3S2 — CID 10058700

IUPAC2-methyl-1,1-dioxothieno[2,3-d][1,2]thiazol-3-one
SMILESCN1C(=O)c2sccc2S1(=O)=O
InChIInChI=1S/C6H5NO3S2/c1-7-6(8)5-4(2-3-11-5)12(7,9)10/h2-3H,1H3
InChIKeyWUQLGNGMRNSJNR-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.52
Rot. Bonds

About 2-methyl-1,1-dioxothieno[2,3-d][1,2]thiazol-3-one

2-methyl-1,1-dioxothieno[2,3-d][1,2]thiazol-3-one (PubChem CID 10058700) has the molecular formula C6H5NO3S2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-methyl-1,1-dioxothieno[2,3-d][1,2]thiazol-3-one.

Molecular Properties

Compound Name2-methyl-1,1-dioxothieno[2,3-d][1,2]thiazol-3-one
PubChem CID10058700
Molecular FormulaC6H5NO3S2
Molecular Weight203.24 g/mol
Exact Mass202.97
IUPAC Name2-methyl-1,1-dioxothieno[2,3-d][1,2]thiazol-3-one
SMILESCN1C(=O)c2sccc2S1(=O)=O
InChIInChI=1S/C6H5NO3S2/c1-7-6(8)5-4(2-3-11-5)12(7,9)10/h2-3H,1H3
InChIKeyWUQLGNGMRNSJNR-UHFFFAOYSA-N
XLogP0.52
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,1-dioxothieno[2,3-d][1,2]thiazol-3-one?
The IUPAC name of 2-methyl-1,1-dioxothieno[2,3-d][1,2]thiazol-3-one (CID 10058700) is 2-methyl-1,1-dioxothieno[2,3-d][1,2]thiazol-3-one.
What is the SMILES notation for 2-methyl-1,1-dioxothieno[2,3-d][1,2]thiazol-3-one?
The canonical SMILES for 2-methyl-1,1-dioxothieno[2,3-d][1,2]thiazol-3-one is CN1C(=O)c2sccc2S1(=O)=O.
What is the InChIKey of 2-methyl-1,1-dioxothieno[2,3-d][1,2]thiazol-3-one?
The InChIKey is WUQLGNGMRNSJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO3S2/c1-7-6(8)5-4(2-3-11-5)12(7,9)10/h2-3H,1H3.
What are the key properties of 2-methyl-1,1-dioxothieno[2,3-d][1,2]thiazol-3-one?
2-methyl-1,1-dioxothieno[2,3-d][1,2]thiazol-3-one has a molecular weight of 203.24 g/mol, XLogP of 0.52, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,1-dioxothieno[2,3-d][1,2]thiazol-3-one is sourced from PubChem (CID 10058700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).