5-ethyl-1,1-dioxo-2,3-dihydrothiophen-3-ol

C6H10O3S — CID 134843026

IUPAC5-ethyl-1,1-dioxo-2,3-dihydrothiophen-3-ol
SMILESCCC1=CC(O)CS1(=O)=O
InChIInChI=1S/C6H10O3S/c1-2-6-3-5(7)4-10(6,8)9/h3,5,7H,2,4H2,1H3
InChIKeyHMHHWDWBXZTHEP-UHFFFAOYSA-N
MW162.21 g/mol
LogP0.07
Rot. Bonds1

About 5-ethyl-1,1-dioxo-2,3-dihydrothiophen-3-ol

5-ethyl-1,1-dioxo-2,3-dihydrothiophen-3-ol (PubChem CID 134843026) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is 5-ethyl-1,1-dioxo-2,3-dihydrothiophen-3-ol.

Molecular Properties

Compound Name5-ethyl-1,1-dioxo-2,3-dihydrothiophen-3-ol
PubChem CID134843026
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Name5-ethyl-1,1-dioxo-2,3-dihydrothiophen-3-ol
SMILESCCC1=CC(O)CS1(=O)=O
InChIInChI=1S/C6H10O3S/c1-2-6-3-5(7)4-10(6,8)9/h3,5,7H,2,4H2,1H3
InChIKeyHMHHWDWBXZTHEP-UHFFFAOYSA-N
XLogP0.07
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,1-dioxo-2,3-dihydrothiophen-3-ol?
The IUPAC name of 5-ethyl-1,1-dioxo-2,3-dihydrothiophen-3-ol (CID 134843026) is 5-ethyl-1,1-dioxo-2,3-dihydrothiophen-3-ol.
What is the SMILES notation for 5-ethyl-1,1-dioxo-2,3-dihydrothiophen-3-ol?
The canonical SMILES for 5-ethyl-1,1-dioxo-2,3-dihydrothiophen-3-ol is CCC1=CC(O)CS1(=O)=O.
What is the InChIKey of 5-ethyl-1,1-dioxo-2,3-dihydrothiophen-3-ol?
The InChIKey is HMHHWDWBXZTHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3S/c1-2-6-3-5(7)4-10(6,8)9/h3,5,7H,2,4H2,1H3.
What are the key properties of 5-ethyl-1,1-dioxo-2,3-dihydrothiophen-3-ol?
5-ethyl-1,1-dioxo-2,3-dihydrothiophen-3-ol has a molecular weight of 162.21 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,1-dioxo-2,3-dihydrothiophen-3-ol is sourced from PubChem (CID 134843026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).