3-ethyl-1,1-dioxothiolan-3-ol

C6H12O3S — CID 63162812

IUPAC3-ethyl-1,1-dioxothiolan-3-ol
SMILESCCC1(O)CCS(=O)(=O)C1
InChIInChI=1S/C6H12O3S/c1-2-6(7)3-4-10(8,9)5-6/h7H,2-5H2,1H3
InChIKeyGSLVFEIIUNRJSQ-UHFFFAOYSA-N
MW164.23 g/mol
LogP-0.05
Rot. Bonds1

About 3-ethyl-1,1-dioxothiolan-3-ol

3-ethyl-1,1-dioxothiolan-3-ol (PubChem CID 63162812) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is 3-ethyl-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name3-ethyl-1,1-dioxothiolan-3-ol
PubChem CID63162812
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Name3-ethyl-1,1-dioxothiolan-3-ol
SMILESCCC1(O)CCS(=O)(=O)C1
InChIInChI=1S/C6H12O3S/c1-2-6(7)3-4-10(8,9)5-6/h7H,2-5H2,1H3
InChIKeyGSLVFEIIUNRJSQ-UHFFFAOYSA-N
XLogP-0.05
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1,1-dioxothian-3-ol
CID 83683380
(3R)-3-methyl-1,1-dioxothiolan-3-ol
CID 95023797
3-(3-methoxy-3-methylbutyl)-1,1-dioxothiolan-3-ol
CID 103035083
1,1-dioxo-3-(4,4,4-trifluorobutyl)thiolan-3-ol
CID 115515292
3-[(1-methylpyrazol-3-yl)methyl]-1,1-dioxothiolan-3-ol
CID 82869427
1,1-dioxo-3-(3-phenylpropyl)thiolan-3-ol
CID 65145717
diethyl 2-(3-hydroxy-1,1-dioxothiolan-3-yl)propanedioate
CID 63166217
4-methyl-1,1-dioxothian-4-ol
CID 58387715
1,1-dioxo-3-prop-2-enylthian-3-ol
CID 165441258
3-ethyl-1,1-dioxothiane-3-carboxylic acid
CID 84779128
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,1-dioxothiolan-3-ol
CID 65145771
3-(3-hydroxy-1,1-dioxothian-3-yl)propanoic acid
CID 66322761

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,1-dioxothiolan-3-ol?
The IUPAC name of 3-ethyl-1,1-dioxothiolan-3-ol (CID 63162812) is 3-ethyl-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 3-ethyl-1,1-dioxothiolan-3-ol?
The canonical SMILES for 3-ethyl-1,1-dioxothiolan-3-ol is CCC1(O)CCS(=O)(=O)C1.
What is the InChIKey of 3-ethyl-1,1-dioxothiolan-3-ol?
The InChIKey is GSLVFEIIUNRJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3S/c1-2-6(7)3-4-10(8,9)5-6/h7H,2-5H2,1H3.
What are the key properties of 3-ethyl-1,1-dioxothiolan-3-ol?
3-ethyl-1,1-dioxothiolan-3-ol has a molecular weight of 164.23 g/mol, XLogP of -0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 63162812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).