3-ethyl-1,1-dioxothian-3-ol

C7H14O3S — CID 83683380

IUPAC3-ethyl-1,1-dioxothian-3-ol
SMILESCCC1(O)CCCS(=O)(=O)C1
InChIInChI=1S/C7H14O3S/c1-2-7(8)4-3-5-11(9,10)6-7/h8H,2-6H2,1H3
InChIKeyFJBRIGWTQWPGKB-UHFFFAOYSA-N
MW178.25 g/mol
LogP0.34
Rot. Bonds1

About 3-ethyl-1,1-dioxothian-3-ol

3-ethyl-1,1-dioxothian-3-ol (PubChem CID 83683380) has the molecular formula C7H14O3S and a molecular weight of 178.25 g/mol. Its IUPAC name is 3-ethyl-1,1-dioxothian-3-ol.

Molecular Properties

Compound Name3-ethyl-1,1-dioxothian-3-ol
PubChem CID83683380
Molecular FormulaC7H14O3S
Molecular Weight178.25 g/mol
Exact Mass178.07
IUPAC Name3-ethyl-1,1-dioxothian-3-ol
SMILESCCC1(O)CCCS(=O)(=O)C1
InChIInChI=1S/C7H14O3S/c1-2-7(8)4-3-5-11(9,10)6-7/h8H,2-6H2,1H3
InChIKeyFJBRIGWTQWPGKB-UHFFFAOYSA-N
XLogP0.34
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1,1-dioxothiolan-3-ol
CID 63162812
1,1-dioxo-3-prop-2-enylthian-3-ol
CID 165441258
3-(3-hydroxy-1,1-dioxothian-3-yl)propanoic acid
CID 66322761
3-ethyl-1,1-dioxothiane-3-carboxylic acid
CID 84779128
3-[(5-methylfuran-2-yl)methyl]-1,1-dioxothian-3-ol
CID 83825148
N-[(3-hydroxy-1,1-dioxothian-3-yl)methyl]-3,5-dimethylbenzenesulfonamide
CID 166400146
2-(4-hydroxy-1,1-dioxothiepan-4-yl)acetic acid
CID 115033307
methyl 2-(4-hydroxy-1,1-dioxothiepan-4-yl)acetate
CID 115041474
(3R)-3-methyl-1,1-dioxothiolan-3-ol
CID 95023797
(3S)-3-ethyl-1-methylpiperidin-3-ol
CID 177186761
(4S)-8λ6-thia-1-azaspiro[3.5]nonane 8,8-dioxide
CID 124509913
(3-ethoxy-1,1-dioxothian-3-yl)methanamine
CID 66071537

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,1-dioxothian-3-ol?
The IUPAC name of 3-ethyl-1,1-dioxothian-3-ol (CID 83683380) is 3-ethyl-1,1-dioxothian-3-ol.
What is the SMILES notation for 3-ethyl-1,1-dioxothian-3-ol?
The canonical SMILES for 3-ethyl-1,1-dioxothian-3-ol is CCC1(O)CCCS(=O)(=O)C1.
What is the InChIKey of 3-ethyl-1,1-dioxothian-3-ol?
The InChIKey is FJBRIGWTQWPGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3S/c1-2-7(8)4-3-5-11(9,10)6-7/h8H,2-6H2,1H3.
What are the key properties of 3-ethyl-1,1-dioxothian-3-ol?
3-ethyl-1,1-dioxothian-3-ol has a molecular weight of 178.25 g/mol, XLogP of 0.34, 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-dioxothian-3-ol is sourced from PubChem (CID 83683380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).