2,3-dihydrofuran-3-sulfonic acid;hydrochloride

C4H7ClO4S — CID 174826948

IUPAC2,3-dihydrofuran-3-sulfonic acid;hydrochloride
SMILESCl.O=S(=O)(O)C1C=COC1
InChIInChI=1S/C4H6O4S.ClH/c5-9(6,7)4-1-2-8-3-4;/h1-2,4H,3H2,(H,5,6,7);1H
InChIKeyGBWCIDLXUGKQFG-UHFFFAOYSA-N
MW186.62 g/mol
LogP0.21
Rot. Bonds1

About 2,3-dihydrofuran-3-sulfonic acid;hydrochloride

2,3-dihydrofuran-3-sulfonic acid;hydrochloride (PubChem CID 174826948) has the molecular formula C4H7ClO4S and a molecular weight of 186.62 g/mol. Its IUPAC name is 2,3-dihydrofuran-3-sulfonic acid;hydrochloride.

Molecular Properties

Compound Name2,3-dihydrofuran-3-sulfonic acid;hydrochloride
PubChem CID174826948
Molecular FormulaC4H7ClO4S
Molecular Weight186.62 g/mol
Exact Mass185.98
IUPAC Name2,3-dihydrofuran-3-sulfonic acid;hydrochloride
SMILESCl.O=S(=O)(O)C1C=COC1
InChIInChI=1S/C4H6O4S.ClH/c5-9(6,7)4-1-2-8-3-4;/h1-2,4H,3H2,(H,5,6,7);1H
InChIKeyGBWCIDLXUGKQFG-UHFFFAOYSA-N
XLogP0.21
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.62
LogP ≤ 50.21
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

2,3-dihydro-1,4-dioxine;trifluoromethanesulfonic acid
CID 159285752
oxolane-3-sulfonic acid;hydrochloride
CID 174788312
4-bromocyclohexa-2,4-diene-1-sulfonic acid
CID 163532712
(3R,4S)-3,4-dimethoxy-3,4-dihydro-2H-pyran
CID 131848834
cyclohexa-3,5-diene-1,2-disulfonic acid
CID 87555090
4H-1,3-dioxine-4-carboxamide
CID 175760156
2,3-dihydrofuran-3-carbaldehyde;N,N-dimethylmethanamine
CID 174598996
sulfuric acid;trihydrochloride
CID 21419907
λ2-plumbane;sulfuric acid
CID 172995537
(3S)-oxolane-3-sulfonic acid
CID 151710513
cyclopropanesulfonic acid
CID 10419166
oxirane-2,3-disulfonic acid
CID 57022722

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuran-3-sulfonic acid;hydrochloride?
The IUPAC name of 2,3-dihydrofuran-3-sulfonic acid;hydrochloride (CID 174826948) is 2,3-dihydrofuran-3-sulfonic acid;hydrochloride.
What is the SMILES notation for 2,3-dihydrofuran-3-sulfonic acid;hydrochloride?
The canonical SMILES for 2,3-dihydrofuran-3-sulfonic acid;hydrochloride is Cl.O=S(=O)(O)C1C=COC1.
What is the InChIKey of 2,3-dihydrofuran-3-sulfonic acid;hydrochloride?
The InChIKey is GBWCIDLXUGKQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O4S.ClH/c5-9(6,7)4-1-2-8-3-4;/h1-2,4H,3H2,(H,5,6,7);1H.
What are the key properties of 2,3-dihydrofuran-3-sulfonic acid;hydrochloride?
2,3-dihydrofuran-3-sulfonic acid;hydrochloride has a molecular weight of 186.62 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuran-3-sulfonic acid;hydrochloride is sourced from PubChem (CID 174826948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).