4,5-bis(ethylsulfinylmethyl)-1,3-dioxolane

C9H18O4S2 — CID 71149111

IUPAC4,5-bis(ethylsulfinylmethyl)-1,3-dioxolane
SMILESCCS(=O)CC1OCOC1CS(=O)CC
InChIInChI=1S/C9H18O4S2/c1-3-14(10)5-8-9(13-7-12-8)6-15(11)4-2/h8-9H,3-7H2,1-2H3
InChIKeyQCCUTLMVXLJHDI-UHFFFAOYSA-N
MW254.37 g/mol
LogP0.27
Rot. Bonds6

About 4,5-bis(ethylsulfinylmethyl)-1,3-dioxolane

4,5-bis(ethylsulfinylmethyl)-1,3-dioxolane (PubChem CID 71149111) has the molecular formula C9H18O4S2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 4,5-bis(ethylsulfinylmethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4,5-bis(ethylsulfinylmethyl)-1,3-dioxolane
PubChem CID71149111
Molecular FormulaC9H18O4S2
Molecular Weight254.37 g/mol
Exact Mass254.06
IUPAC Name4,5-bis(ethylsulfinylmethyl)-1,3-dioxolane
SMILESCCS(=O)CC1OCOC1CS(=O)CC
InChIInChI=1S/C9H18O4S2/c1-3-14(10)5-8-9(13-7-12-8)6-15(11)4-2/h8-9H,3-7H2,1-2H3
InChIKeyQCCUTLMVXLJHDI-UHFFFAOYSA-N
XLogP0.27
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(ethylsulfinylmethyl)-1,3-dioxolane?
The IUPAC name of 4,5-bis(ethylsulfinylmethyl)-1,3-dioxolane (CID 71149111) is 4,5-bis(ethylsulfinylmethyl)-1,3-dioxolane.
What is the SMILES notation for 4,5-bis(ethylsulfinylmethyl)-1,3-dioxolane?
The canonical SMILES for 4,5-bis(ethylsulfinylmethyl)-1,3-dioxolane is CCS(=O)CC1OCOC1CS(=O)CC.
What is the InChIKey of 4,5-bis(ethylsulfinylmethyl)-1,3-dioxolane?
The InChIKey is QCCUTLMVXLJHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4S2/c1-3-14(10)5-8-9(13-7-12-8)6-15(11)4-2/h8-9H,3-7H2,1-2H3.
What are the key properties of 4,5-bis(ethylsulfinylmethyl)-1,3-dioxolane?
4,5-bis(ethylsulfinylmethyl)-1,3-dioxolane has a molecular weight of 254.37 g/mol, XLogP of 0.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(ethylsulfinylmethyl)-1,3-dioxolane is sourced from PubChem (CID 71149111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).