propane-1,3-disulfonate;silver

C3H6AgO6S2-2 — CID 87079724

IUPACpropane-1,3-disulfonate;silver
SMILESO=S(=O)([O-])CCCS(=O)(=O)[O-].[Ag]
InChIInChI=1S/C3H8O6S2.Ag/c4-10(5,6)2-1-3-11(7,8)9;/h1-3H2,(H,4,5,6)(H,7,8,9);/p-2
InChIKeyDCRWWGSOPLNVOU-UHFFFAOYSA-L
MW310.08 g/mol
LogP-1.54
Rot. Bonds4

About propane-1,3-disulfonate;silver

propane-1,3-disulfonate;silver (PubChem CID 87079724) has the molecular formula C3H6AgO6S2-2 and a molecular weight of 310.08 g/mol. Its IUPAC name is propane-1,3-disulfonate;silver.

Molecular Properties

Compound Namepropane-1,3-disulfonate;silver
PubChem CID87079724
Molecular FormulaC3H6AgO6S2-2
Molecular Weight310.08 g/mol
Exact Mass308.87
IUPAC Namepropane-1,3-disulfonate;silver
SMILESO=S(=O)([O-])CCCS(=O)(=O)[O-].[Ag]
InChIInChI=1S/C3H8O6S2.Ag/c4-10(5,6)2-1-3-11(7,8)9;/h1-3H2,(H,4,5,6)(H,7,8,9);/p-2
InChIKeyDCRWWGSOPLNVOU-UHFFFAOYSA-L
XLogP-1.54
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.08
LogP ≤ 5-1.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

undecane-1,11-disulfonate
CID 23618255
ethane-1,2-disulfonate;silver
CID 87079782
disodium;decane-1,10-disulfonate
CID 87519177
dilithium;ethane-1,2-disulfonate
CID 87246309
lithium 3-aminopropane-1-sulfonate
CID 118523249
lithium butane-1-sulfonate
CID 23684871
strontium ethane-1,2-disulfonate
CID 87366284
strontium bis(3-aminopropane-1-sulfonate)
CID 87367236
calcium bis(3-hydroxypropane-1-sulfonate)
CID 162170471
aluminum tris(butane-1-sulfonate)
CID 158588198
CID 21277428
CID 21277428
carbanylium;3-(3-sulfonatopropyldisulfanyl)propane-1-sulfonate
CID 161360607

Frequently Asked Questions

What is the IUPAC name of propane-1,3-disulfonate;silver?
The IUPAC name of propane-1,3-disulfonate;silver (CID 87079724) is propane-1,3-disulfonate;silver.
What is the SMILES notation for propane-1,3-disulfonate;silver?
The canonical SMILES for propane-1,3-disulfonate;silver is O=S(=O)([O-])CCCS(=O)(=O)[O-].[Ag].
What is the InChIKey of propane-1,3-disulfonate;silver?
The InChIKey is DCRWWGSOPLNVOU-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H8O6S2.Ag/c4-10(5,6)2-1-3-11(7,8)9;/h1-3H2,(H,4,5,6)(H,7,8,9);/p-2.
What are the key properties of propane-1,3-disulfonate;silver?
propane-1,3-disulfonate;silver has a molecular weight of 310.08 g/mol, XLogP of -1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1,3-disulfonate;silver is sourced from PubChem (CID 87079724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).