2-(methoxymethyl)-1,1-dioxo-1-benzothiophen-6-ol

C10H10O4S — CID 117179617

IUPAC2-(methoxymethyl)-1,1-dioxo-1-benzothiophen-6-ol
SMILESCOCC1=Cc2ccc(O)cc2S1(=O)=O
InChIInChI=1S/C10H10O4S/c1-14-6-9-4-7-2-3-8(11)5-10(7)15(9,12)13/h2-5,11H,6H2,1H3
InChIKeyGTANWKPZGFEGRW-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.17
Rot. Bonds2

About 2-(methoxymethyl)-1,1-dioxo-1-benzothiophen-6-ol

2-(methoxymethyl)-1,1-dioxo-1-benzothiophen-6-ol (PubChem CID 117179617) has the molecular formula C10H10O4S and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-(methoxymethyl)-1,1-dioxo-1-benzothiophen-6-ol.

Molecular Properties

Compound Name2-(methoxymethyl)-1,1-dioxo-1-benzothiophen-6-ol
PubChem CID117179617
Molecular FormulaC10H10O4S
Molecular Weight226.25 g/mol
Exact Mass226.03
IUPAC Name2-(methoxymethyl)-1,1-dioxo-1-benzothiophen-6-ol
SMILESCOCC1=Cc2ccc(O)cc2S1(=O)=O
InChIInChI=1S/C10H10O4S/c1-14-6-9-4-7-2-3-8(11)5-10(7)15(9,12)13/h2-5,11H,6H2,1H3
InChIKeyGTANWKPZGFEGRW-UHFFFAOYSA-N
XLogP1.17
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-1,1-dioxo-1-benzothiophen-6-ol?
The IUPAC name of 2-(methoxymethyl)-1,1-dioxo-1-benzothiophen-6-ol (CID 117179617) is 2-(methoxymethyl)-1,1-dioxo-1-benzothiophen-6-ol.
What is the SMILES notation for 2-(methoxymethyl)-1,1-dioxo-1-benzothiophen-6-ol?
The canonical SMILES for 2-(methoxymethyl)-1,1-dioxo-1-benzothiophen-6-ol is COCC1=Cc2ccc(O)cc2S1(=O)=O.
What is the InChIKey of 2-(methoxymethyl)-1,1-dioxo-1-benzothiophen-6-ol?
The InChIKey is GTANWKPZGFEGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4S/c1-14-6-9-4-7-2-3-8(11)5-10(7)15(9,12)13/h2-5,11H,6H2,1H3.
What are the key properties of 2-(methoxymethyl)-1,1-dioxo-1-benzothiophen-6-ol?
2-(methoxymethyl)-1,1-dioxo-1-benzothiophen-6-ol has a molecular weight of 226.25 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-1,1-dioxo-1-benzothiophen-6-ol is sourced from PubChem (CID 117179617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).