3-(ethylsulfinylmethyl)-2,3-dihydrofuran

C7H12O2S — CID 89243561

IUPAC3-(ethylsulfinylmethyl)-2,3-dihydrofuran
SMILESCCS(=O)CC1C=COC1
InChIInChI=1S/C7H12O2S/c1-2-10(8)6-7-3-4-9-5-7/h3-4,7H,2,5-6H2,1H3
InChIKeyUGVZLIWIOVXFII-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.92
Rot. Bonds3

About 3-(ethylsulfinylmethyl)-2,3-dihydrofuran

3-(ethylsulfinylmethyl)-2,3-dihydrofuran (PubChem CID 89243561) has the molecular formula C7H12O2S and a molecular weight of 160.24 g/mol. Its IUPAC name is 3-(ethylsulfinylmethyl)-2,3-dihydrofuran.

Molecular Properties

Compound Name3-(ethylsulfinylmethyl)-2,3-dihydrofuran
PubChem CID89243561
Molecular FormulaC7H12O2S
Molecular Weight160.24 g/mol
Exact Mass160.06
IUPAC Name3-(ethylsulfinylmethyl)-2,3-dihydrofuran
SMILESCCS(=O)CC1C=COC1
InChIInChI=1S/C7H12O2S/c1-2-10(8)6-7-3-4-9-5-7/h3-4,7H,2,5-6H2,1H3
InChIKeyUGVZLIWIOVXFII-UHFFFAOYSA-N
XLogP0.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfinylmethyl)-2,3-dihydrofuran?
The IUPAC name of 3-(ethylsulfinylmethyl)-2,3-dihydrofuran (CID 89243561) is 3-(ethylsulfinylmethyl)-2,3-dihydrofuran.
What is the SMILES notation for 3-(ethylsulfinylmethyl)-2,3-dihydrofuran?
The canonical SMILES for 3-(ethylsulfinylmethyl)-2,3-dihydrofuran is CCS(=O)CC1C=COC1.
What is the InChIKey of 3-(ethylsulfinylmethyl)-2,3-dihydrofuran?
The InChIKey is UGVZLIWIOVXFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2S/c1-2-10(8)6-7-3-4-9-5-7/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 3-(ethylsulfinylmethyl)-2,3-dihydrofuran?
3-(ethylsulfinylmethyl)-2,3-dihydrofuran has a molecular weight of 160.24 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfinylmethyl)-2,3-dihydrofuran is sourced from PubChem (CID 89243561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).