4-ethyl-1,3,2-dioxathiolane 2,2-dioxide

C4H8O4S — CID 14594672

IUPAC4-ethyl-1,3,2-dioxathiolane 2,2-dioxide
SMILESCCC1COS(=O)(=O)O1
InChIInChI=1S/C4H8O4S/c1-2-4-3-7-9(5,6)8-4/h4H,2-3H2,1H3
InChIKeyLHSIBZSEORSTMG-UHFFFAOYSA-N
MW152.17 g/mol
LogP0.06
Rot. Bonds1

About 4-ethyl-1,3,2-dioxathiolane 2,2-dioxide

4-ethyl-1,3,2-dioxathiolane 2,2-dioxide (PubChem CID 14594672) has the molecular formula C4H8O4S and a molecular weight of 152.17 g/mol. Its IUPAC name is 4-ethyl-1,3,2-dioxathiolane 2,2-dioxide.

Molecular Properties

Compound Name4-ethyl-1,3,2-dioxathiolane 2,2-dioxide
PubChem CID14594672
Molecular FormulaC4H8O4S
Molecular Weight152.17 g/mol
Exact Mass152.01
IUPAC Name4-ethyl-1,3,2-dioxathiolane 2,2-dioxide
SMILESCCC1COS(=O)(=O)O1
InChIInChI=1S/C4H8O4S/c1-2-4-3-7-9(5,6)8-4/h4H,2-3H2,1H3
InChIKeyLHSIBZSEORSTMG-UHFFFAOYSA-N
XLogP0.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-1,3,2-dioxathiolane 2,2-Dioxide
CID 9964107
(4R,5R)-4,5-dimethyl-1,3,2lambda6-dioxathiolane-2,2-dione
CID 11008102
4,5-Dimethyl-1,3,2-dioxathiolane 2-oxide
CID 97910
(4R)-4-Methyl-1,3,2-dioxathiolane 2,2-dioxide
CID 59377073
(4R)-4-ethyl-1,3,2-dioxathiolane 2,2-dioxide
CID 10909753
(4S,5S)-4,5-dimethyl-1,3,2-dioxathiolane 2,2-dioxide
CID 13545565
(4S)-4-ethyl-1,3,2lambda6-dioxathiolane-2,2-dione
CID 71534127
4-(Methoxymethyl)-1,3,2lambda6-dioxathiolane-2,2-dione
CID 88439600
1,3,2-Dioxathiolane, 4-propyl-, 2,2-dioxide
CID 12038412
cis-4,5-Dimethyl-1,3,2-dioxathiolane 2-oxide
CID 6994234
(4S,5S)-4,5-dimethyl-1,3,2-dioxathiolane 2-oxide
CID 6994236
4,5-Dimethyl-1,3,2-dioxathiolane 2,2-dioxide
CID 351569

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,3,2-dioxathiolane 2,2-dioxide?
The IUPAC name of 4-ethyl-1,3,2-dioxathiolane 2,2-dioxide (CID 14594672) is 4-ethyl-1,3,2-dioxathiolane 2,2-dioxide.
What is the SMILES notation for 4-ethyl-1,3,2-dioxathiolane 2,2-dioxide?
The canonical SMILES for 4-ethyl-1,3,2-dioxathiolane 2,2-dioxide is CCC1COS(=O)(=O)O1.
What is the InChIKey of 4-ethyl-1,3,2-dioxathiolane 2,2-dioxide?
The InChIKey is LHSIBZSEORSTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O4S/c1-2-4-3-7-9(5,6)8-4/h4H,2-3H2,1H3.
What are the key properties of 4-ethyl-1,3,2-dioxathiolane 2,2-dioxide?
4-ethyl-1,3,2-dioxathiolane 2,2-dioxide has a molecular weight of 152.17 g/mol, XLogP of 0.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,3,2-dioxathiolane 2,2-dioxide is sourced from PubChem (CID 14594672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).