4-(ethylsulfinylmethyl)-1,3-dioxolane

C6H12O3S — CID 89314232

IUPAC4-(ethylsulfinylmethyl)-1,3-dioxolane
SMILESCCS(=O)CC1COCO1
InChIInChI=1S/C6H12O3S/c1-2-10(7)4-6-3-8-5-9-6/h6H,2-5H2,1H3
InChIKeyDJJIMRPMBKPTBF-UHFFFAOYSA-N
MW164.23 g/mol
LogP0.13
Rot. Bonds3

About 4-(ethylsulfinylmethyl)-1,3-dioxolane

4-(ethylsulfinylmethyl)-1,3-dioxolane (PubChem CID 89314232) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is 4-(ethylsulfinylmethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4-(ethylsulfinylmethyl)-1,3-dioxolane
PubChem CID89314232
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Name4-(ethylsulfinylmethyl)-1,3-dioxolane
SMILESCCS(=O)CC1COCO1
InChIInChI=1S/C6H12O3S/c1-2-10(7)4-6-3-8-5-9-6/h6H,2-5H2,1H3
InChIKeyDJJIMRPMBKPTBF-UHFFFAOYSA-N
XLogP0.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfinylmethyl)-1,3-dioxolane?
The IUPAC name of 4-(ethylsulfinylmethyl)-1,3-dioxolane (CID 89314232) is 4-(ethylsulfinylmethyl)-1,3-dioxolane.
What is the SMILES notation for 4-(ethylsulfinylmethyl)-1,3-dioxolane?
The canonical SMILES for 4-(ethylsulfinylmethyl)-1,3-dioxolane is CCS(=O)CC1COCO1.
What is the InChIKey of 4-(ethylsulfinylmethyl)-1,3-dioxolane?
The InChIKey is DJJIMRPMBKPTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3S/c1-2-10(7)4-6-3-8-5-9-6/h6H,2-5H2,1H3.
What are the key properties of 4-(ethylsulfinylmethyl)-1,3-dioxolane?
4-(ethylsulfinylmethyl)-1,3-dioxolane has a molecular weight of 164.23 g/mol, XLogP of 0.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfinylmethyl)-1,3-dioxolane is sourced from PubChem (CID 89314232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).