ethane;5-ethylfuran-2-sulfonic acid

C8H14O4S — CID 159027282

IUPACethane;5-ethylfuran-2-sulfonic acid
SMILESCC.CCc1ccc(S(=O)(=O)O)o1
InChIInChI=1S/C6H8O4S.C2H6/c1-2-5-3-4-6(10-5)11(7,8)9;1-2/h3-4H,2H2,1H3,(H,7,8,9);1-2H3
InChIKeyJULAQWJOZNFJCP-UHFFFAOYSA-N
MW206.26 g/mol
LogP2.11
Rot. Bonds2

About ethane;5-ethylfuran-2-sulfonic acid

ethane;5-ethylfuran-2-sulfonic acid (PubChem CID 159027282) has the molecular formula C8H14O4S and a molecular weight of 206.26 g/mol. Its IUPAC name is ethane;5-ethylfuran-2-sulfonic acid.

Molecular Properties

Compound Nameethane;5-ethylfuran-2-sulfonic acid
PubChem CID159027282
Molecular FormulaC8H14O4S
Molecular Weight206.26 g/mol
Exact Mass206.06
IUPAC Nameethane;5-ethylfuran-2-sulfonic acid
SMILESCC.CCc1ccc(S(=O)(=O)O)o1
InChIInChI=1S/C6H8O4S.C2H6/c1-2-5-3-4-6(10-5)11(7,8)9;1-2/h3-4H,2H2,1H3,(H,7,8,9);1-2H3
InChIKeyJULAQWJOZNFJCP-UHFFFAOYSA-N
XLogP2.11
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

5-heptylfuran-2-sulfonic acid
CID 129105151
5-(3,3,5,5-tetramethylhexyl)furan-2-sulfonic acid
CID 155158089
5-propan-2-ylfuran-2-sulfonic acid
CID 118474376
5-[3-(2-methylpropylamino)-3-oxopropyl]furan-2-sulfonic acid
CID 19603950
3-(5-ethylfuran-2-yl)benzenesulfonic acid
CID 59935161
1-(4-chlorophenyl)-3-(5-ethylfuran-2-yl)sulfonylurea
CID 15669330
5-hexadecanoylfuran-2-sulfonic acid
CID 155143261
1-(5-ethylfuran-2-yl)sulfonyl-3-(methoxymethyl)azetidine-3-carboxylic acid
CID 166290753
(5-ethylfuran-2-yl)methanol;prop-2-enal
CID 175292814
(5-ethylfuran-2-yl)phosphane
CID 118946047
(5-ethylfuran-2-yl)boronic acid
CID 11378537
1-(5-ethylfuran-2-yl)-3-methylsulfonylpropan-1-one
CID 114969554

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethylfuran-2-sulfonic acid?
The IUPAC name of ethane;5-ethylfuran-2-sulfonic acid (CID 159027282) is ethane;5-ethylfuran-2-sulfonic acid.
What is the SMILES notation for ethane;5-ethylfuran-2-sulfonic acid?
The canonical SMILES for ethane;5-ethylfuran-2-sulfonic acid is CC.CCc1ccc(S(=O)(=O)O)o1.
What is the InChIKey of ethane;5-ethylfuran-2-sulfonic acid?
The InChIKey is JULAQWJOZNFJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4S.C2H6/c1-2-5-3-4-6(10-5)11(7,8)9;1-2/h3-4H,2H2,1H3,(H,7,8,9);1-2H3.
What are the key properties of ethane;5-ethylfuran-2-sulfonic acid?
ethane;5-ethylfuran-2-sulfonic acid has a molecular weight of 206.26 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethylfuran-2-sulfonic acid is sourced from PubChem (CID 159027282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).