strontium ethane-1,2-disulfonate

C2H4O6S2Sr — CID 87366284

IUPACstrontium ethane-1,2-disulfonate
SMILESO=S(=O)([O-])CCS(=O)(=O)[O-].[Sr+2]
InChIInChI=1S/C2H6O6S2.Sr/c3-9(4,5)1-2-10(6,7)8;/h1-2H2,(H,3,4,5)(H,6,7,8);/q;+2/p-2
InChIKeyWBHZIVSNCIWYNB-UHFFFAOYSA-L
MW275.80 g/mol
LogP-2.30
Rot. Bonds3

About strontium ethane-1,2-disulfonate

strontium ethane-1,2-disulfonate (PubChem CID 87366284) has the molecular formula C2H4O6S2Sr and a molecular weight of 275.80 g/mol. Its IUPAC name is strontium ethane-1,2-disulfonate.

Molecular Properties

Compound Namestrontium ethane-1,2-disulfonate
PubChem CID87366284
Molecular FormulaC2H4O6S2Sr
Molecular Weight275.80 g/mol
Exact Mass275.85
IUPAC Namestrontium ethane-1,2-disulfonate
SMILESO=S(=O)([O-])CCS(=O)(=O)[O-].[Sr+2]
InChIInChI=1S/C2H6O6S2.Sr/c3-9(4,5)1-2-10(6,7)8;/h1-2H2,(H,3,4,5)(H,6,7,8);/q;+2/p-2
InChIKeyWBHZIVSNCIWYNB-UHFFFAOYSA-L
XLogP-2.30
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.80
LogP ≤ 5-2.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze strontium ethane-1,2-disulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dilithium;ethane-1,2-disulfonate
CID 87246309
ethane-1,2-disulfonate;silver
CID 87079782
strontium bis(2-hydroxyethanesulfonate)
CID 87367145
propane-1,3-disulfonate;silver
CID 87079724
undecane-1,11-disulfonate
CID 23618255
strontium bis(3-aminopropane-1-sulfonate)
CID 87367236
disodium;decane-1,10-disulfonate
CID 87519177
lithium propane-1-sulfonate
CID 131984534
2-hydroxyethanesulfonate
CID 18931617
lithium 2-fluoroethanesulfonate
CID 163830662
cerium(3+);tris(propane-1-sulfonate)
CID 159815250
potassium propane-1-sulfonate
CID 23693600

Frequently Asked Questions

What is the IUPAC name of strontium ethane-1,2-disulfonate?
The IUPAC name of strontium ethane-1,2-disulfonate (CID 87366284) is strontium ethane-1,2-disulfonate.
What is the SMILES notation for strontium ethane-1,2-disulfonate?
The canonical SMILES for strontium ethane-1,2-disulfonate is O=S(=O)([O-])CCS(=O)(=O)[O-].[Sr+2].
What is the InChIKey of strontium ethane-1,2-disulfonate?
The InChIKey is WBHZIVSNCIWYNB-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H6O6S2.Sr/c3-9(4,5)1-2-10(6,7)8;/h1-2H2,(H,3,4,5)(H,6,7,8);/q;+2/p-2.
What are the key properties of strontium ethane-1,2-disulfonate?
strontium ethane-1,2-disulfonate has a molecular weight of 275.80 g/mol, XLogP of -2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for strontium ethane-1,2-disulfonate is sourced from PubChem (CID 87366284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).