dilithium;10-oxidooxysulfanyldecane-1-sulfinate

C10H20Li2O4S2 — CID 20749584

IUPACdilithium;10-oxidooxysulfanyldecane-1-sulfinate
SMILESO=S([O-])CCCCCCCCCCSO[O-].[Li+].[Li+]
InChIInChI=1S/C10H22O4S2.2Li/c11-14-15-9-7-5-3-1-2-4-6-8-10-16(12)13;;/h11H,1-10H2,(H,12,13);;/q;2*+1/p-2
InChIKeyJMRWDCLKPQXZOD-UHFFFAOYSA-L
MW282.28 g/mol
LogP-4.07
Rot. Bonds12

About dilithium;10-oxidooxysulfanyldecane-1-sulfinate

dilithium;10-oxidooxysulfanyldecane-1-sulfinate (PubChem CID 20749584) has the molecular formula C10H20Li2O4S2 and a molecular weight of 282.28 g/mol. Its IUPAC name is dilithium;10-oxidooxysulfanyldecane-1-sulfinate.

Molecular Properties

Compound Namedilithium;10-oxidooxysulfanyldecane-1-sulfinate
PubChem CID20749584
Molecular FormulaC10H20Li2O4S2
Molecular Weight282.28 g/mol
Exact Mass282.11
IUPAC Namedilithium;10-oxidooxysulfanyldecane-1-sulfinate
SMILESO=S([O-])CCCCCCCCCCSO[O-].[Li+].[Li+]
InChIInChI=1S/C10H22O4S2.2Li/c11-14-15-9-7-5-3-1-2-4-6-8-10-16(12)13;;/h11H,1-10H2,(H,12,13);;/q;2*+1/p-2
InChIKeyJMRWDCLKPQXZOD-UHFFFAOYSA-L
XLogP-4.07
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 5-4.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Analyze dilithium;10-oxidooxysulfanyldecane-1-sulfinate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dilithium;10-oxidooxysulfanyldecane-1-sulfinate?
The IUPAC name of dilithium;10-oxidooxysulfanyldecane-1-sulfinate (CID 20749584) is dilithium;10-oxidooxysulfanyldecane-1-sulfinate.
What is the SMILES notation for dilithium;10-oxidooxysulfanyldecane-1-sulfinate?
The canonical SMILES for dilithium;10-oxidooxysulfanyldecane-1-sulfinate is O=S([O-])CCCCCCCCCCSO[O-].[Li+].[Li+].
What is the InChIKey of dilithium;10-oxidooxysulfanyldecane-1-sulfinate?
The InChIKey is JMRWDCLKPQXZOD-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H22O4S2.2Li/c11-14-15-9-7-5-3-1-2-4-6-8-10-16(12)13;;/h11H,1-10H2,(H,12,13);;/q;2*+1/p-2.
What are the key properties of dilithium;10-oxidooxysulfanyldecane-1-sulfinate?
dilithium;10-oxidooxysulfanyldecane-1-sulfinate has a molecular weight of 282.28 g/mol, XLogP of -4.07, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;10-oxidooxysulfanyldecane-1-sulfinate is sourced from PubChem (CID 20749584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).