1H-indene-1-sulfinic acid

C9H8O2S — CID 57090010

IUPAC1H-indene-1-sulfinic acid
SMILESO=S(O)C1C=Cc2ccccc21
InChIInChI=1S/C9H8O2S/c10-12(11)9-6-5-7-3-1-2-4-8(7)9/h1-6,9H,(H,10,11)
InChIKeyDWLLUCGIJVMORL-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.98
Rot. Bonds1

About 1H-indene-1-sulfinic acid

1H-indene-1-sulfinic acid (PubChem CID 57090010) has the molecular formula C9H8O2S and a molecular weight of 180.23 g/mol. Its IUPAC name is 1H-indene-1-sulfinic acid.

Molecular Properties

Compound Name1H-indene-1-sulfinic acid
PubChem CID57090010
Molecular FormulaC9H8O2S
Molecular Weight180.23 g/mol
Exact Mass180.02
IUPAC Name1H-indene-1-sulfinic acid
SMILESO=S(O)C1C=Cc2ccccc21
InChIInChI=1S/C9H8O2S/c10-12(11)9-6-5-7-3-1-2-4-8(7)9/h1-6,9H,(H,10,11)
InChIKeyDWLLUCGIJVMORL-UHFFFAOYSA-N
XLogP1.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.98
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

1H-inden-1-ylmethanol;zirconium(3+);trichloride
CID 160514692
hydron;1H-inden-1-ol
CID 174812636
1-(sulfinatoamino)-1H-indene
CID 174298626
1H-inden-1-ylmethanesulfinate
CID 68565996
2-(1H-inden-1-yl)ethanol
CID 23288751
1-(2-hydroxy-1,2-dihydronaphthalen-1-yl)-1,2-dihydronaphthalen-2-ol
CID 71289286
1H-inden-1-yl formate
CID 54514146
1H-inden-1-amine
CID 14298803
CID 164810428
CID 164810428
(1S,2R)-2-methyl-1,2-dihydronaphthalene-1-carbaldehyde
CID 10749718
(1R,2R)-2-methyl-1,2-dihydronaphthalen-1-ol
CID 11252162
cobalt;1H-inden-1-ylmethanone
CID 150174456

Frequently Asked Questions

What is the IUPAC name of 1H-indene-1-sulfinic acid?
The IUPAC name of 1H-indene-1-sulfinic acid (CID 57090010) is 1H-indene-1-sulfinic acid.
What is the SMILES notation for 1H-indene-1-sulfinic acid?
The canonical SMILES for 1H-indene-1-sulfinic acid is O=S(O)C1C=Cc2ccccc21.
What is the InChIKey of 1H-indene-1-sulfinic acid?
The InChIKey is DWLLUCGIJVMORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2S/c10-12(11)9-6-5-7-3-1-2-4-8(7)9/h1-6,9H,(H,10,11).
What are the key properties of 1H-indene-1-sulfinic acid?
1H-indene-1-sulfinic acid has a molecular weight of 180.23 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indene-1-sulfinic acid is sourced from PubChem (CID 57090010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).