dichloromethane;methanesulfonic acid

C2H6Cl2O3S — CID 22465915

IUPACdichloromethane;methanesulfonic acid
SMILESCS(=O)(=O)O.ClCCl
InChIInChI=1S/CH2Cl2.CH4O3S/c2-1-3;1-5(2,3)4/h1H2;1H3,(H,2,3,4)
InChIKeyJUGGGTWXNOOGNX-UHFFFAOYSA-N
MW181.04 g/mol
LogP0.93
Rot. Bonds

About dichloromethane;methanesulfonic acid

dichloromethane;methanesulfonic acid (PubChem CID 22465915) has the molecular formula C2H6Cl2O3S and a molecular weight of 181.04 g/mol. Its IUPAC name is dichloromethane;methanesulfonic acid.

Molecular Properties

Compound Namedichloromethane;methanesulfonic acid
PubChem CID22465915
Molecular FormulaC2H6Cl2O3S
Molecular Weight181.04 g/mol
Exact Mass179.94
IUPAC Namedichloromethane;methanesulfonic acid
SMILESCS(=O)(=O)O.ClCCl
InChIInChI=1S/CH2Cl2.CH4O3S/c2-1-3;1-5(2,3)4/h1H2;1H3,(H,2,3,4)
InChIKeyJUGGGTWXNOOGNX-UHFFFAOYSA-N
XLogP0.93
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.04
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 87129852
CID 87129852
hydron;methanesulfonic acid
CID 19767432
methanesulfonic acid;hydrate
CID 87278985
methanesulfonic acid;stibane
CID 173129060
ethane;methanesulfonic acid
CID 87194848
CID 72786756
CID 72786756
methane;methanesulfonic acid
CID 87535456
chloroform;methanesulfonic acid
CID 158495186
methanesulfonic acid;yttrium;hydrofluoride
CID 174922283
sodium;methanesulfonic acid;iodide
CID 87541742
hafnium;methanesulfonic acid;hydrofluoride
CID 174915854
azane;methanesulfonic acid;hydrate
CID 141152760

Frequently Asked Questions

What is the IUPAC name of dichloromethane;methanesulfonic acid?
The IUPAC name of dichloromethane;methanesulfonic acid (CID 22465915) is dichloromethane;methanesulfonic acid.
What is the SMILES notation for dichloromethane;methanesulfonic acid?
The canonical SMILES for dichloromethane;methanesulfonic acid is CS(=O)(=O)O.ClCCl.
What is the InChIKey of dichloromethane;methanesulfonic acid?
The InChIKey is JUGGGTWXNOOGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2Cl2.CH4O3S/c2-1-3;1-5(2,3)4/h1H2;1H3,(H,2,3,4).
What are the key properties of dichloromethane;methanesulfonic acid?
dichloromethane;methanesulfonic acid has a molecular weight of 181.04 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;methanesulfonic acid is sourced from PubChem (CID 22465915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).