cyclopropanesulfonic acid;hydrochloride

C3H7ClO3S — CID 87107960

IUPACcyclopropanesulfonic acid;hydrochloride
SMILESCl.O=S(=O)(O)C1CC1
InChIInChI=1S/C3H6O3S.ClH/c4-7(5,6)3-1-2-3;/h3H,1-2H2,(H,4,5,6);1H
InChIKeyORCKNBODOREFJS-UHFFFAOYSA-N
MW158.61 g/mol
LogP0.46
Rot. Bonds1

About cyclopropanesulfonic acid;hydrochloride

cyclopropanesulfonic acid;hydrochloride (PubChem CID 87107960) has the molecular formula C3H7ClO3S and a molecular weight of 158.61 g/mol. Its IUPAC name is cyclopropanesulfonic acid;hydrochloride.

Molecular Properties

Compound Namecyclopropanesulfonic acid;hydrochloride
PubChem CID87107960
Molecular FormulaC3H7ClO3S
Molecular Weight158.61 g/mol
Exact Mass157.98
IUPAC Namecyclopropanesulfonic acid;hydrochloride
SMILESCl.O=S(=O)(O)C1CC1
InChIInChI=1S/C3H6O3S.ClH/c4-7(5,6)3-1-2-3;/h3H,1-2H2,(H,4,5,6);1H
InChIKeyORCKNBODOREFJS-UHFFFAOYSA-N
XLogP0.46
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.61
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopropanesulfonic acid;hydrochloride?
The IUPAC name of cyclopropanesulfonic acid;hydrochloride (CID 87107960) is cyclopropanesulfonic acid;hydrochloride.
What is the SMILES notation for cyclopropanesulfonic acid;hydrochloride?
The canonical SMILES for cyclopropanesulfonic acid;hydrochloride is Cl.O=S(=O)(O)C1CC1.
What is the InChIKey of cyclopropanesulfonic acid;hydrochloride?
The InChIKey is ORCKNBODOREFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3S.ClH/c4-7(5,6)3-1-2-3;/h3H,1-2H2,(H,4,5,6);1H.
What are the key properties of cyclopropanesulfonic acid;hydrochloride?
cyclopropanesulfonic acid;hydrochloride has a molecular weight of 158.61 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanesulfonic acid;hydrochloride is sourced from PubChem (CID 87107960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).