sodium;chloro prop-2-ene-1-sulfonate;hydride

C3H6ClNaO3S — CID 174732222

IUPACsodium;chloro prop-2-ene-1-sulfonate;hydride
SMILESC=CCS(=O)(=O)OCl.[H-].[Na+]
InChIInChI=1S/C3H5ClO3S.Na.H/c1-2-3-8(5,6)7-4;;/h2H,1,3H2;;/q;+1;-1
InChIKeyPKQBQUFYCPNTAE-UHFFFAOYSA-N
MW180.59 g/mol
LogP-2.21
Rot. Bonds3

About sodium;chloro prop-2-ene-1-sulfonate;hydride

sodium;chloro prop-2-ene-1-sulfonate;hydride (PubChem CID 174732222) has the molecular formula C3H6ClNaO3S and a molecular weight of 180.59 g/mol. Its IUPAC name is sodium;chloro prop-2-ene-1-sulfonate;hydride.

Molecular Properties

Compound Namesodium;chloro prop-2-ene-1-sulfonate;hydride
PubChem CID174732222
Molecular FormulaC3H6ClNaO3S
Molecular Weight180.59 g/mol
Exact Mass179.96
IUPAC Namesodium;chloro prop-2-ene-1-sulfonate;hydride
SMILESC=CCS(=O)(=O)OCl.[H-].[Na+]
InChIInChI=1S/C3H5ClO3S.Na.H/c1-2-3-8(5,6)7-4;;/h2H,1,3H2;;/q;+1;-1
InChIKeyPKQBQUFYCPNTAE-UHFFFAOYSA-N
XLogP-2.21
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.59
LogP ≤ 5-2.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Sodium 2-propene-1-sulfonate
CID 23690996
Prop-2-ene-1-sulfonic acid
CID 17238
Prop-2-ene-1-sulfonyl chloride
CID 534496
But-3-ene-1-sulfonyl chloride
CID 12134107
Sodium prop-2-ene-1-sulfinate
CID 20589136
Prop-2-ene-1-sulfonyl fluoride
CID 87228277
(1E)-1-Propene-1-sulfonyl chloride
CID 12508394
Sodium but-3-ene-1-sulfonate
CID 87275888
Sodium but-2-ene-1-sulfonate
CID 74089302
2-Propene-1-sulfonic acid, ion(1-)
CID 4447605
Prop-2-ene-1-sulfinate
CID 4385537
But-2-ene-1-sulfonyl chloride
CID 15853283

Frequently Asked Questions

What is the IUPAC name of sodium;chloro prop-2-ene-1-sulfonate;hydride?
The IUPAC name of sodium;chloro prop-2-ene-1-sulfonate;hydride (CID 174732222) is sodium;chloro prop-2-ene-1-sulfonate;hydride.
What is the SMILES notation for sodium;chloro prop-2-ene-1-sulfonate;hydride?
The canonical SMILES for sodium;chloro prop-2-ene-1-sulfonate;hydride is C=CCS(=O)(=O)OCl.[H-].[Na+].
What is the InChIKey of sodium;chloro prop-2-ene-1-sulfonate;hydride?
The InChIKey is PKQBQUFYCPNTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClO3S.Na.H/c1-2-3-8(5,6)7-4;;/h2H,1,3H2;;/q;+1;-1.
What are the key properties of sodium;chloro prop-2-ene-1-sulfonate;hydride?
sodium;chloro prop-2-ene-1-sulfonate;hydride has a molecular weight of 180.59 g/mol, XLogP of -2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;chloro prop-2-ene-1-sulfonate;hydride is sourced from PubChem (CID 174732222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).