acridine-1-sulfinic acid

C13H9NO2S — CID 91240554

IUPACacridine-1-sulfinic acid
SMILESO=S(O)c1cccc2nc3ccccc3cc12
InChIInChI=1S/C13H9NO2S/c15-17(16)13-7-3-6-12-10(13)8-9-4-1-2-5-11(9)14-12/h1-8H,(H,15,16)
InChIKeyIPOGTQIWBJQGJA-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.97
Rot. Bonds1

About acridine-1-sulfinic acid

acridine-1-sulfinic acid (PubChem CID 91240554) has the molecular formula C13H9NO2S and a molecular weight of 243.29 g/mol. Its IUPAC name is acridine-1-sulfinic acid.

Molecular Properties

Compound Nameacridine-1-sulfinic acid
PubChem CID91240554
Molecular FormulaC13H9NO2S
Molecular Weight243.29 g/mol
Exact Mass243.04
IUPAC Nameacridine-1-sulfinic acid
SMILESO=S(O)c1cccc2nc3ccccc3cc12
InChIInChI=1S/C13H9NO2S/c15-17(16)13-7-3-6-12-10(13)8-9-4-1-2-5-11(9)14-12/h1-8H,(H,15,16)
InChIKeyIPOGTQIWBJQGJA-UHFFFAOYSA-N
XLogP2.97
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

1-methylacridine;nitric acid
CID 173117700
acridine-1-carbonyl acridine-1-carboxylate
CID 54394686
acridine
CID 21226281
benzene-1,2-disulfinic acid
CID 19813698
1-methylacridine;hydrochloride
CID 175333750
1-acridin-1-ylsulfanylacridine
CID 141380741
acridine-1,2-disulfonic acid
CID 151823397
7-methylnaphthalene-1-sulfinic acid
CID 71250211
methyl acridine-1-carboxylate
CID 54560619
acridine-1-carbothioamide
CID 154008733
acridine;sulfane
CID 159134653
acridine;iron
CID 158030240

Frequently Asked Questions

What is the IUPAC name of acridine-1-sulfinic acid?
The IUPAC name of acridine-1-sulfinic acid (CID 91240554) is acridine-1-sulfinic acid.
What is the SMILES notation for acridine-1-sulfinic acid?
The canonical SMILES for acridine-1-sulfinic acid is O=S(O)c1cccc2nc3ccccc3cc12.
What is the InChIKey of acridine-1-sulfinic acid?
The InChIKey is IPOGTQIWBJQGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2S/c15-17(16)13-7-3-6-12-10(13)8-9-4-1-2-5-11(9)14-12/h1-8H,(H,15,16).
What are the key properties of acridine-1-sulfinic acid?
acridine-1-sulfinic acid has a molecular weight of 243.29 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acridine-1-sulfinic acid is sourced from PubChem (CID 91240554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).