chloroform;prop-2-ene-1-sulfonic acid

C4H7Cl3O3S — CID 174491609

IUPACchloroform;prop-2-ene-1-sulfonic acid
SMILESC=CCS(=O)(=O)O.ClC(Cl)Cl
InChIInChI=1S/C3H6O3S.CHCl3/c1-2-3-7(4,5)6;2-1(3)4/h2H,1,3H2,(H,4,5,6);1H
InChIKeyIDBZYKVZOFXWAT-UHFFFAOYSA-N
MW241.52 g/mol
LogP2.05
Rot. Bonds2

About chloroform;prop-2-ene-1-sulfonic acid

chloroform;prop-2-ene-1-sulfonic acid (PubChem CID 174491609) has the molecular formula C4H7Cl3O3S and a molecular weight of 241.52 g/mol. Its IUPAC name is chloroform;prop-2-ene-1-sulfonic acid.

Molecular Properties

Compound Namechloroform;prop-2-ene-1-sulfonic acid
PubChem CID174491609
Molecular FormulaC4H7Cl3O3S
Molecular Weight241.52 g/mol
Exact Mass239.92
IUPAC Namechloroform;prop-2-ene-1-sulfonic acid
SMILESC=CCS(=O)(=O)O.ClC(Cl)Cl
InChIInChI=1S/C3H6O3S.CHCl3/c1-2-3-7(4,5)6;2-1(3)4/h2H,1,3H2,(H,4,5,6);1H
InChIKeyIDBZYKVZOFXWAT-UHFFFAOYSA-N
XLogP2.05
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.52
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloroform;prop-2-ene-1-sulfonic acid?
The IUPAC name of chloroform;prop-2-ene-1-sulfonic acid (CID 174491609) is chloroform;prop-2-ene-1-sulfonic acid.
What is the SMILES notation for chloroform;prop-2-ene-1-sulfonic acid?
The canonical SMILES for chloroform;prop-2-ene-1-sulfonic acid is C=CCS(=O)(=O)O.ClC(Cl)Cl.
What is the InChIKey of chloroform;prop-2-ene-1-sulfonic acid?
The InChIKey is IDBZYKVZOFXWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3S.CHCl3/c1-2-3-7(4,5)6;2-1(3)4/h2H,1,3H2,(H,4,5,6);1H.
What are the key properties of chloroform;prop-2-ene-1-sulfonic acid?
chloroform;prop-2-ene-1-sulfonic acid has a molecular weight of 241.52 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;prop-2-ene-1-sulfonic acid is sourced from PubChem (CID 174491609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).