2,3-dihydro-1H-indene-5-sulfinic acid

C9H10O2S — CID 22503835

IUPAC2,3-dihydro-1H-indene-5-sulfinic acid
SMILESO=S(O)c1ccc2c(c1)CCC2
InChIInChI=1S/C9H10O2S/c10-12(11)9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2,(H,10,11)
InChIKeyRWHKVOXOPYFKNM-UHFFFAOYSA-N
MW182.24 g/mol
LogP1.76
Rot. Bonds1

About 2,3-dihydro-1H-indene-5-sulfinic acid

2,3-dihydro-1H-indene-5-sulfinic acid (PubChem CID 22503835) has the molecular formula C9H10O2S and a molecular weight of 182.24 g/mol. Its IUPAC name is 2,3-dihydro-1H-indene-5-sulfinic acid.

Molecular Properties

Compound Name2,3-dihydro-1H-indene-5-sulfinic acid
PubChem CID22503835
Molecular FormulaC9H10O2S
Molecular Weight182.24 g/mol
Exact Mass182.04
IUPAC Name2,3-dihydro-1H-indene-5-sulfinic acid
SMILESO=S(O)c1ccc2c(c1)CCC2
InChIInChI=1S/C9H10O2S/c10-12(11)9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2,(H,10,11)
InChIKeyRWHKVOXOPYFKNM-UHFFFAOYSA-N
XLogP1.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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
N-(oxomethylidene)-2,3-dihydro-1H-indene-5-sulfinamide
CID 10512518
3-oxo-1,2-dihydroindene-5-sulfinic acid
CID 22119038
2,3-dihydro-1-benzofuran-5-sulfinic acid
CID 22069128
7-methylsulfinyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 21242902
2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-(4-methylphenyl)ethanone
CID 64639088
3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-phenylpropan-1-one
CID 116694915
4-(2,3-dihydro-1H-inden-5-ylsulfinylmethyl)aniline
CID 61287818
3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methylbutan-2-amine
CID 64651157
3-(2,3-dihydro-1H-inden-5-ylsulfinyl)cyclopentan-1-amine
CID 64723256
methyl 3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-2-methylbutanoate
CID 79414090
2-(2,3-dihydro-1H-inden-5-ylsulfinylmethyl)-3,3,3-trifluoropropanoic acid
CID 80996550

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indene-5-sulfinic acid?
The IUPAC name of 2,3-dihydro-1H-indene-5-sulfinic acid (CID 22503835) is 2,3-dihydro-1H-indene-5-sulfinic acid.
What is the SMILES notation for 2,3-dihydro-1H-indene-5-sulfinic acid?
The canonical SMILES for 2,3-dihydro-1H-indene-5-sulfinic acid is O=S(O)c1ccc2c(c1)CCC2.
What is the InChIKey of 2,3-dihydro-1H-indene-5-sulfinic acid?
The InChIKey is RWHKVOXOPYFKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2S/c10-12(11)9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2,(H,10,11).
What are the key properties of 2,3-dihydro-1H-indene-5-sulfinic acid?
2,3-dihydro-1H-indene-5-sulfinic acid has a molecular weight of 182.24 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indene-5-sulfinic acid is sourced from PubChem (CID 22503835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).