chloroform;methanesulfonic acid

C2H5Cl3O3S — CID 158495186

IUPACchloroform;methanesulfonic acid
SMILESCS(=O)(=O)O.ClC(Cl)Cl
InChIInChI=1S/CHCl3.CH4O3S/c2-1(3)4;1-5(2,3)4/h1H;1H3,(H,2,3,4)
InChIKeyHJERCYPQHAGQIR-UHFFFAOYSA-N
MW215.49 g/mol
LogP1.49
Rot. Bonds

About chloroform;methanesulfonic acid

chloroform;methanesulfonic acid (PubChem CID 158495186) has the molecular formula C2H5Cl3O3S and a molecular weight of 215.49 g/mol. Its IUPAC name is chloroform;methanesulfonic acid.

Molecular Properties

Compound Namechloroform;methanesulfonic acid
PubChem CID158495186
Molecular FormulaC2H5Cl3O3S
Molecular Weight215.49 g/mol
Exact Mass213.90
IUPAC Namechloroform;methanesulfonic acid
SMILESCS(=O)(=O)O.ClC(Cl)Cl
InChIInChI=1S/CHCl3.CH4O3S/c2-1(3)4;1-5(2,3)4/h1H;1H3,(H,2,3,4)
InChIKeyHJERCYPQHAGQIR-UHFFFAOYSA-N
XLogP1.49
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.49
LogP ≤ 51.49
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

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CID 87278985
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CID 173129060
ethane;methanesulfonic acid
CID 87194848
CID 72786756
CID 72786756
methane;methanesulfonic acid
CID 87535456
dichloromethane;methanesulfonic acid
CID 22465915
alumane;methanesulfonic acid;hydrofluoride
CID 174812209
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CID 87541742
methanesulfonic acid;yttrium;hydrofluoride
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Frequently Asked Questions

What is the IUPAC name of chloroform;methanesulfonic acid?
The IUPAC name of chloroform;methanesulfonic acid (CID 158495186) is chloroform;methanesulfonic acid.
What is the SMILES notation for chloroform;methanesulfonic acid?
The canonical SMILES for chloroform;methanesulfonic acid is CS(=O)(=O)O.ClC(Cl)Cl.
What is the InChIKey of chloroform;methanesulfonic acid?
The InChIKey is HJERCYPQHAGQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/CHCl3.CH4O3S/c2-1(3)4;1-5(2,3)4/h1H;1H3,(H,2,3,4).
What are the key properties of chloroform;methanesulfonic acid?
chloroform;methanesulfonic acid has a molecular weight of 215.49 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;methanesulfonic acid is sourced from PubChem (CID 158495186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).