ethane;methanesulfonate;naphthalene

C13H17O3S- — CID 91264574

IUPACethane;methanesulfonate;naphthalene
SMILESCC.CS(=O)(=O)[O-].c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C2H6.CH4O3S/c1-2-6-10-8-4-3-7-9(10)5-1;1-2;1-5(2,3)4/h1-8H;1-2H3;1H3,(H,2,3,4)/p-1
InChIKeyKIGHPQJJGFCARW-UHFFFAOYSA-M
MW253.34 g/mol
LogP3.03
Rot. Bonds

About ethane;methanesulfonate;naphthalene

ethane;methanesulfonate;naphthalene (PubChem CID 91264574) has the molecular formula C13H17O3S- and a molecular weight of 253.34 g/mol. Its IUPAC name is ethane;methanesulfonate;naphthalene.

Molecular Properties

Compound Nameethane;methanesulfonate;naphthalene
PubChem CID91264574
Molecular FormulaC13H17O3S-
Molecular Weight253.34 g/mol
Exact Mass253.09
IUPAC Nameethane;methanesulfonate;naphthalene
SMILESCC.CS(=O)(=O)[O-].c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C2H6.CH4O3S/c1-2-6-10-8-4-3-7-9(10)5-1;1-2;1-5(2,3)4/h1-8H;1-2H3;1H3,(H,2,3,4)/p-1
InChIKeyKIGHPQJJGFCARW-UHFFFAOYSA-M
XLogP3.03
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;methanesulfonate;naphthalene 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

dipotassium;naphthalene;sulfate
CID 159561982
calcium;naphthalene;sulfate
CID 158920591
benzene;ethane;methanesulfonate
CID 90804134
ethane;naphthalene
CID 144512894
ethane;methanamine;methanesulfonic acid;methanol;naphthalene
CID 91220007
sodium;hydride;methanesulfonic acid;naphthalene
CID 174430944
methanesulfonate;quinolin-1-ium
CID 11521445
sodium;naphthalene;oxomethanesulfonate
CID 23701476
anthracene;ethane;methanesulfonic acid
CID 91545165
naphthalene;sulfuric acid
CID 69493753
dimethyl(phenyl)sulfanium;methanesulfonate
CID 158678678
gold(1+);methanesulfonate;triphenylphosphane
CID 172719682

Frequently Asked Questions

What is the IUPAC name of ethane;methanesulfonate;naphthalene?
The IUPAC name of ethane;methanesulfonate;naphthalene (CID 91264574) is ethane;methanesulfonate;naphthalene.
What is the SMILES notation for ethane;methanesulfonate;naphthalene?
The canonical SMILES for ethane;methanesulfonate;naphthalene is CC.CS(=O)(=O)[O-].c1ccc2ccccc2c1.
What is the InChIKey of ethane;methanesulfonate;naphthalene?
The InChIKey is KIGHPQJJGFCARW-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H8.C2H6.CH4O3S/c1-2-6-10-8-4-3-7-9(10)5-1;1-2;1-5(2,3)4/h1-8H;1-2H3;1H3,(H,2,3,4)/p-1.
What are the key properties of ethane;methanesulfonate;naphthalene?
ethane;methanesulfonate;naphthalene has a molecular weight of 253.34 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanesulfonate;naphthalene is sourced from PubChem (CID 91264574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).