ethane;methanesulfonic acid;toluene

C10H18O3S — CID 54441651

IUPACethane;methanesulfonic acid;toluene
SMILESCC.CS(=O)(=O)O.Cc1ccccc1
InChIInChI=1S/C7H8.C2H6.CH4O3S/c1-7-5-3-2-4-6-7;1-2;1-5(2,3)4/h2-6H,1H3;1-2H3;1H3,(H,2,3,4)
InChIKeyWONFQPZGLSHULH-UHFFFAOYSA-N
MW218.32 g/mol
LogP2.53
Rot. Bonds

About ethane;methanesulfonic acid;toluene

ethane;methanesulfonic acid;toluene (PubChem CID 54441651) has the molecular formula C10H18O3S and a molecular weight of 218.32 g/mol. Its IUPAC name is ethane;methanesulfonic acid;toluene.

Molecular Properties

Compound Nameethane;methanesulfonic acid;toluene
PubChem CID54441651
Molecular FormulaC10H18O3S
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Nameethane;methanesulfonic acid;toluene
SMILESCC.CS(=O)(=O)O.Cc1ccccc1
InChIInChI=1S/C7H8.C2H6.CH4O3S/c1-7-5-3-2-4-6-7;1-2;1-5(2,3)4/h2-6H,1H3;1-2H3;1H3,(H,2,3,4)
InChIKeyWONFQPZGLSHULH-UHFFFAOYSA-N
XLogP2.53
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;methanesulfonic acid;toluene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;methanesulfonic acid;toluene?
The IUPAC name of ethane;methanesulfonic acid;toluene (CID 54441651) is ethane;methanesulfonic acid;toluene.
What is the SMILES notation for ethane;methanesulfonic acid;toluene?
The canonical SMILES for ethane;methanesulfonic acid;toluene is CC.CS(=O)(=O)O.Cc1ccccc1.
What is the InChIKey of ethane;methanesulfonic acid;toluene?
The InChIKey is WONFQPZGLSHULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C2H6.CH4O3S/c1-7-5-3-2-4-6-7;1-2;1-5(2,3)4/h2-6H,1H3;1-2H3;1H3,(H,2,3,4).
What are the key properties of ethane;methanesulfonic acid;toluene?
ethane;methanesulfonic acid;toluene has a molecular weight of 218.32 g/mol, XLogP of 2.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanesulfonic acid;toluene is sourced from PubChem (CID 54441651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).