2,3-bis(ethylsulfonyl)-2H-furan-5-one

C8H12O6S2 — CID 11065440

IUPAC2,3-bis(ethylsulfonyl)-2H-furan-5-one
SMILESCCS(=O)(=O)C1=CC(=O)OC1S(=O)(=O)CC
InChIInChI=1S/C8H12O6S2/c1-3-15(10,11)6-5-7(9)14-8(6)16(12,13)4-2/h5,8H,3-4H2,1-2H3
InChIKeyMIGMZGFENPXVMB-UHFFFAOYSA-N
MW268.31 g/mol
LogP-0.38
Rot. Bonds4

About 2,3-bis(ethylsulfonyl)-2H-furan-5-one

2,3-bis(ethylsulfonyl)-2H-furan-5-one (PubChem CID 11065440) has the molecular formula C8H12O6S2 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2,3-bis(ethylsulfonyl)-2H-furan-5-one.

Molecular Properties

Compound Name2,3-bis(ethylsulfonyl)-2H-furan-5-one
PubChem CID11065440
Molecular FormulaC8H12O6S2
Molecular Weight268.31 g/mol
Exact Mass268.01
IUPAC Name2,3-bis(ethylsulfonyl)-2H-furan-5-one
SMILESCCS(=O)(=O)C1=CC(=O)OC1S(=O)(=O)CC
InChIInChI=1S/C8H12O6S2/c1-3-15(10,11)6-5-7(9)14-8(6)16(12,13)4-2/h5,8H,3-4H2,1-2H3
InChIKeyMIGMZGFENPXVMB-UHFFFAOYSA-N
XLogP-0.38
TPSA94.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethylsulfonyl)-2H-furan-5-one?
The IUPAC name of 2,3-bis(ethylsulfonyl)-2H-furan-5-one (CID 11065440) is 2,3-bis(ethylsulfonyl)-2H-furan-5-one.
What is the SMILES notation for 2,3-bis(ethylsulfonyl)-2H-furan-5-one?
The canonical SMILES for 2,3-bis(ethylsulfonyl)-2H-furan-5-one is CCS(=O)(=O)C1=CC(=O)OC1S(=O)(=O)CC.
What is the InChIKey of 2,3-bis(ethylsulfonyl)-2H-furan-5-one?
The InChIKey is MIGMZGFENPXVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O6S2/c1-3-15(10,11)6-5-7(9)14-8(6)16(12,13)4-2/h5,8H,3-4H2,1-2H3.
What are the key properties of 2,3-bis(ethylsulfonyl)-2H-furan-5-one?
2,3-bis(ethylsulfonyl)-2H-furan-5-one has a molecular weight of 268.31 g/mol, XLogP of -0.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethylsulfonyl)-2H-furan-5-one is sourced from PubChem (CID 11065440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).