6-methyl-1,1-dioxothieno[3,4-d][1,2]thiazol-3-one

C6H5NO3S2 — CID 139595901

IUPAC6-methyl-1,1-dioxothieno[3,4-d][1,2]thiazol-3-one
SMILESCc1scc2c1S(=O)(=O)NC2=O
InChIInChI=1S/C6H5NO3S2/c1-3-5-4(2-11-3)6(8)7-12(5,9)10/h2H,1H3,(H,7,8)
InChIKeyLHUVTABLXDEUNO-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.49
Rot. Bonds

About 6-methyl-1,1-dioxothieno[3,4-d][1,2]thiazol-3-one

6-methyl-1,1-dioxothieno[3,4-d][1,2]thiazol-3-one (PubChem CID 139595901) has the molecular formula C6H5NO3S2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 6-methyl-1,1-dioxothieno[3,4-d][1,2]thiazol-3-one.

Molecular Properties

Compound Name6-methyl-1,1-dioxothieno[3,4-d][1,2]thiazol-3-one
PubChem CID139595901
Molecular FormulaC6H5NO3S2
Molecular Weight203.24 g/mol
Exact Mass202.97
IUPAC Name6-methyl-1,1-dioxothieno[3,4-d][1,2]thiazol-3-one
SMILESCc1scc2c1S(=O)(=O)NC2=O
InChIInChI=1S/C6H5NO3S2/c1-3-5-4(2-11-3)6(8)7-12(5,9)10/h2H,1H3,(H,7,8)
InChIKeyLHUVTABLXDEUNO-UHFFFAOYSA-N
XLogP0.49
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 ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,1-dioxothieno[3,4-d][1,2]thiazol-3-one?
The IUPAC name of 6-methyl-1,1-dioxothieno[3,4-d][1,2]thiazol-3-one (CID 139595901) is 6-methyl-1,1-dioxothieno[3,4-d][1,2]thiazol-3-one.
What is the SMILES notation for 6-methyl-1,1-dioxothieno[3,4-d][1,2]thiazol-3-one?
The canonical SMILES for 6-methyl-1,1-dioxothieno[3,4-d][1,2]thiazol-3-one is Cc1scc2c1S(=O)(=O)NC2=O.
What is the InChIKey of 6-methyl-1,1-dioxothieno[3,4-d][1,2]thiazol-3-one?
The InChIKey is LHUVTABLXDEUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO3S2/c1-3-5-4(2-11-3)6(8)7-12(5,9)10/h2H,1H3,(H,7,8).
What are the key properties of 6-methyl-1,1-dioxothieno[3,4-d][1,2]thiazol-3-one?
6-methyl-1,1-dioxothieno[3,4-d][1,2]thiazol-3-one has a molecular weight of 203.24 g/mol, XLogP of 0.49, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,1-dioxothieno[3,4-d][1,2]thiazol-3-one is sourced from PubChem (CID 139595901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).