sodium methoxymethanedithioate

C2H3NaOS2 — CID 23681518

IUPACsodium methoxymethanedithioate
SMILESCOC(=S)[S-].[Na+]
InChIInChI=1S/C2H4OS2.Na/c1-3-2(4)5;/h1H3,(H,4,5);/q;+1/p-1
InChIKeyAFLAOXOHBAMFHT-UHFFFAOYSA-M
MW130.17 g/mol
LogP-2.53
Rot. Bonds

About sodium methoxymethanedithioate

sodium methoxymethanedithioate (PubChem CID 23681518) has the molecular formula C2H3NaOS2 and a molecular weight of 130.17 g/mol. Its IUPAC name is sodium methoxymethanedithioate.

Molecular Properties

Compound Namesodium methoxymethanedithioate
PubChem CID23681518
Molecular FormulaC2H3NaOS2
Molecular Weight130.17 g/mol
Exact Mass129.95
IUPAC Namesodium methoxymethanedithioate
SMILESCOC(=S)[S-].[Na+]
InChIInChI=1S/C2H4OS2.Na/c1-3-2(4)5;/h1H3,(H,4,5);/q;+1/p-1
InChIKeyAFLAOXOHBAMFHT-UHFFFAOYSA-M
XLogP-2.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 5-2.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze sodium methoxymethanedithioate 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 sodium methoxymethanedithioate?
The IUPAC name of sodium methoxymethanedithioate (CID 23681518) is sodium methoxymethanedithioate.
What is the SMILES notation for sodium methoxymethanedithioate?
The canonical SMILES for sodium methoxymethanedithioate is COC(=S)[S-].[Na+].
What is the InChIKey of sodium methoxymethanedithioate?
The InChIKey is AFLAOXOHBAMFHT-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4OS2.Na/c1-3-2(4)5;/h1H3,(H,4,5);/q;+1/p-1.
What are the key properties of sodium methoxymethanedithioate?
sodium methoxymethanedithioate has a molecular weight of 130.17 g/mol, XLogP of -2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium methoxymethanedithioate is sourced from PubChem (CID 23681518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).