2,3-dihydro-1-benzofuran-5-sulfinic acid

C8H8O3S — CID 22069128

IUPAC2,3-dihydro-1-benzofuran-5-sulfinic acid
SMILESO=S(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C8H8O3S/c9-12(10)7-1-2-8-6(5-7)3-4-11-8/h1-2,5H,3-4H2,(H,9,10)
InChIKeyVPYWSCXWCVSJHC-UHFFFAOYSA-N
MW184.22 g/mol
LogP1.20
Rot. Bonds1

About 2,3-dihydro-1-benzofuran-5-sulfinic acid

2,3-dihydro-1-benzofuran-5-sulfinic acid (PubChem CID 22069128) has the molecular formula C8H8O3S and a molecular weight of 184.22 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-sulfinic acid.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-sulfinic acid
PubChem CID22069128
Molecular FormulaC8H8O3S
Molecular Weight184.22 g/mol
Exact Mass184.02
IUPAC Name2,3-dihydro-1-benzofuran-5-sulfinic acid
SMILESO=S(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C8H8O3S/c9-12(10)7-1-2-8-6(5-7)3-4-11-8/h1-2,5H,3-4H2,(H,9,10)
InChIKeyVPYWSCXWCVSJHC-UHFFFAOYSA-N
XLogP1.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-dihydro-2H-chromene-6-sulfinic acid
CID 56986109
2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-sulfinic acid
CID 20583457
2,3-dihydro-1H-indene-5-sulfinic acid
CID 22503835
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
7-amino-2,3-dihydro-1-benzofuran-5-sulfinic acid
CID 165402240
5-methyl-2,3-dihydro-1-benzofuran
CID 12725190
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylhydroxylamine
CID 145016330
2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 7130264
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-amine
CID 43198411
2-(2,3-dihydro-1-benzofuran-5-yl)guanidine
CID 82648102
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-one
CID 43160515
2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyacetamide
CID 62225836

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-sulfinic acid?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-sulfinic acid (CID 22069128) is 2,3-dihydro-1-benzofuran-5-sulfinic acid.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-sulfinic acid?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-sulfinic acid is O=S(O)c1ccc2c(c1)CCO2.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-sulfinic acid?
The InChIKey is VPYWSCXWCVSJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3S/c9-12(10)7-1-2-8-6(5-7)3-4-11-8/h1-2,5H,3-4H2,(H,9,10).
What are the key properties of 2,3-dihydro-1-benzofuran-5-sulfinic acid?
2,3-dihydro-1-benzofuran-5-sulfinic acid has a molecular weight of 184.22 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-5-sulfinic acid is sourced from PubChem (CID 22069128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).