potassium 1,2-dihydroacenaphthylene-3-sulfonate

C12H9KO3S — CID 146050724

IUPACpotassium 1,2-dihydroacenaphthylene-3-sulfonate
SMILESO=S(=O)([O-])c1ccc2cccc3c2c1CC3.[K+]
InChIInChI=1S/C12H10O3S.K/c13-16(14,15)11-7-5-9-3-1-2-8-4-6-10(11)12(8)9;/h1-3,5,7H,4,6H2,(H,13,14,15);/q;+1/p-1
InChIKeyASVGOWKBLNAPFD-UHFFFAOYSA-M
MW272.37 g/mol
LogP-1.15
Rot. Bonds1

About potassium 1,2-dihydroacenaphthylene-3-sulfonate

potassium 1,2-dihydroacenaphthylene-3-sulfonate (PubChem CID 146050724) has the molecular formula C12H9KO3S and a molecular weight of 272.37 g/mol. Its IUPAC name is potassium 1,2-dihydroacenaphthylene-3-sulfonate.

Molecular Properties

Compound Namepotassium 1,2-dihydroacenaphthylene-3-sulfonate
PubChem CID146050724
Molecular FormulaC12H9KO3S
Molecular Weight272.37 g/mol
Exact Mass271.99
IUPAC Namepotassium 1,2-dihydroacenaphthylene-3-sulfonate
SMILESO=S(=O)([O-])c1ccc2cccc3c2c1CC3.[K+]
InChIInChI=1S/C12H10O3S.K/c13-16(14,15)11-7-5-9-3-1-2-8-4-6-10(11)12(8)9;/h1-3,5,7H,4,6H2,(H,13,14,15);/q;+1/p-1
InChIKeyASVGOWKBLNAPFD-UHFFFAOYSA-M
XLogP-1.15
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 5-1.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze potassium 1,2-dihydroacenaphthylene-3-sulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-dihydroacenaphthylene-3-sulfonyl chloride
CID 121008066
N-(2-cyanophenyl)-1,2-dihydroacenaphthylene-3-sulfonamide
CID 8834385
1,2-dihydroacenaphthylene
CID 161018660
1,2-dihydroacenaphthylen-3-amine;hydrobromide
CID 158935493
N-naphthalen-1-yl-8,9-dihydro-7H-phenalene-1-sulfonamide
CID 21210486
1,2-dihydroacenaphthylene;dioxotitanium
CID 175288385
magnesium 8-aminonaphthalene-1-sulfonate
CID 3017064
(2S)-2-(4-chloro-3-nitrophenyl)-3-(1,2-dihydroacenaphthylen-3-ylsulfonyl)-1,3-thiazolidine
CID 1118526
sodium;pyrene-1-sulfonate;pyrene-1-sulfonic acid
CID 174624723
8-cyanonaphthalene-1-sulfonate
CID 4578291
sodium 8-hydroxynaphthalene-1-sulfonate
CID 23672328
potassium 3-hydroxypyrene-1-sulfonate
CID 160675627

Frequently Asked Questions

What is the IUPAC name of potassium 1,2-dihydroacenaphthylene-3-sulfonate?
The IUPAC name of potassium 1,2-dihydroacenaphthylene-3-sulfonate (CID 146050724) is potassium 1,2-dihydroacenaphthylene-3-sulfonate.
What is the SMILES notation for potassium 1,2-dihydroacenaphthylene-3-sulfonate?
The canonical SMILES for potassium 1,2-dihydroacenaphthylene-3-sulfonate is O=S(=O)([O-])c1ccc2cccc3c2c1CC3.[K+].
What is the InChIKey of potassium 1,2-dihydroacenaphthylene-3-sulfonate?
The InChIKey is ASVGOWKBLNAPFD-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H10O3S.K/c13-16(14,15)11-7-5-9-3-1-2-8-4-6-10(11)12(8)9;/h1-3,5,7H,4,6H2,(H,13,14,15);/q;+1/p-1.
What are the key properties of potassium 1,2-dihydroacenaphthylene-3-sulfonate?
potassium 1,2-dihydroacenaphthylene-3-sulfonate has a molecular weight of 272.37 g/mol, XLogP of -1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1,2-dihydroacenaphthylene-3-sulfonate is sourced from PubChem (CID 146050724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).