sodium prop-1-ene-1-sulfonate

C3H5NaO3S — CID 74087590

IUPACsodium prop-1-ene-1-sulfonate
SMILESCC=CS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C3H6O3S.Na/c1-2-3-7(4,5)6;/h2-3H,1H3,(H,4,5,6);/q;+1/p-1
InChIKeyVQIDGTFLGAAJGI-UHFFFAOYSA-M
MW144.13 g/mol
LogP-2.93
Rot. Bonds1

About sodium prop-1-ene-1-sulfonate

sodium prop-1-ene-1-sulfonate (PubChem CID 74087590) has the molecular formula C3H5NaO3S and a molecular weight of 144.13 g/mol. Its IUPAC name is sodium prop-1-ene-1-sulfonate.

Molecular Properties

Compound Namesodium prop-1-ene-1-sulfonate
PubChem CID74087590
Molecular FormulaC3H5NaO3S
Molecular Weight144.13 g/mol
Exact Mass143.99
IUPAC Namesodium prop-1-ene-1-sulfonate
SMILESCC=CS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C3H6O3S.Na/c1-2-3-7(4,5)6;/h2-3H,1H3,(H,4,5,6);/q;+1/p-1
InChIKeyVQIDGTFLGAAJGI-UHFFFAOYSA-M
XLogP-2.93
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-2.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 sodium prop-1-ene-1-sulfonate?
The IUPAC name of sodium prop-1-ene-1-sulfonate (CID 74087590) is sodium prop-1-ene-1-sulfonate.
What is the SMILES notation for sodium prop-1-ene-1-sulfonate?
The canonical SMILES for sodium prop-1-ene-1-sulfonate is CC=CS(=O)(=O)[O-].[Na+].
What is the InChIKey of sodium prop-1-ene-1-sulfonate?
The InChIKey is VQIDGTFLGAAJGI-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6O3S.Na/c1-2-3-7(4,5)6;/h2-3H,1H3,(H,4,5,6);/q;+1/p-1.
What are the key properties of sodium prop-1-ene-1-sulfonate?
sodium prop-1-ene-1-sulfonate has a molecular weight of 144.13 g/mol, XLogP of -2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium prop-1-ene-1-sulfonate is sourced from PubChem (CID 74087590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).