1-(sulfinatoamino)-1H-indene

C9H8NO2S- — CID 174298626

IUPAC1-(sulfinatoamino)-1H-indene
SMILESO=S([O-])NC1C=Cc2ccccc21
InChIInChI=1S/C9H9NO2S/c11-13(12)10-9-6-5-7-3-1-2-4-8(7)9/h1-6,9-10H,(H,11,12)/p-1
InChIKeyDWYRYYOZEYUILE-UHFFFAOYSA-M
MW194.24 g/mol
LogP1.14
Rot. Bonds2

About 1-(sulfinatoamino)-1H-indene

1-(sulfinatoamino)-1H-indene (PubChem CID 174298626) has the molecular formula C9H8NO2S- and a molecular weight of 194.24 g/mol. Its IUPAC name is 1-(sulfinatoamino)-1H-indene.

Molecular Properties

Compound Name1-(sulfinatoamino)-1H-indene
PubChem CID174298626
Molecular FormulaC9H8NO2S-
Molecular Weight194.24 g/mol
Exact Mass194.03
IUPAC Name1-(sulfinatoamino)-1H-indene
SMILESO=S([O-])NC1C=Cc2ccccc21
InChIInChI=1S/C9H9NO2S/c11-13(12)10-9-6-5-7-3-1-2-4-8(7)9/h1-6,9-10H,(H,11,12)/p-1
InChIKeyDWYRYYOZEYUILE-UHFFFAOYSA-M
XLogP1.14
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(sulfinatoamino)-1H-indene?
The IUPAC name of 1-(sulfinatoamino)-1H-indene (CID 174298626) is 1-(sulfinatoamino)-1H-indene.
What is the SMILES notation for 1-(sulfinatoamino)-1H-indene?
The canonical SMILES for 1-(sulfinatoamino)-1H-indene is O=S([O-])NC1C=Cc2ccccc21.
What is the InChIKey of 1-(sulfinatoamino)-1H-indene?
The InChIKey is DWYRYYOZEYUILE-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H9NO2S/c11-13(12)10-9-6-5-7-3-1-2-4-8(7)9/h1-6,9-10H,(H,11,12)/p-1.
What are the key properties of 1-(sulfinatoamino)-1H-indene?
1-(sulfinatoamino)-1H-indene has a molecular weight of 194.24 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(sulfinatoamino)-1H-indene is sourced from PubChem (CID 174298626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).