lithium ethoxymethanedithioate

C3H5LiOS2 — CID 23681493

IUPAClithium ethoxymethanedithioate
SMILESCCOC(=S)[S-].[Li+]
InChIInChI=1S/C3H6OS2.Li/c1-2-4-3(5)6;/h2H2,1H3,(H,5,6);/q;+1/p-1
InChIKeySKMLRDJQWWVKDZ-UHFFFAOYSA-M
MW128.15 g/mol
LogP-2.14
Rot. Bonds1

About lithium ethoxymethanedithioate

lithium ethoxymethanedithioate (PubChem CID 23681493) has the molecular formula C3H5LiOS2 and a molecular weight of 128.15 g/mol. Its IUPAC name is lithium ethoxymethanedithioate.

Molecular Properties

Compound Namelithium ethoxymethanedithioate
PubChem CID23681493
Molecular FormulaC3H5LiOS2
Molecular Weight128.15 g/mol
Exact Mass127.99
IUPAC Namelithium ethoxymethanedithioate
SMILESCCOC(=S)[S-].[Li+]
InChIInChI=1S/C3H6OS2.Li/c1-2-4-3(5)6;/h2H2,1H3,(H,5,6);/q;+1/p-1
InChIKeySKMLRDJQWWVKDZ-UHFFFAOYSA-M
XLogP-2.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 5-2.14
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'}

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Related Compounds

chromium(3+);tris(ethoxymethanedithioate)
CID 18626808
bis(ethoxymethanedithioate);palladium(2+)
CID 15779435
tris(ethoxymethanedithioate);nickel(3+)
CID 135393664
bis(ethoxymethanedithioate);platinum-191(2+)
CID 10048477
copper bis(ethoxymethanedithioate)
CID 13403244
sodium;ethoxymethanedithioate;sulfuric acid
CID 174872749
CID 157091532
CID 157091532
calcium bis(propoxymethanedithioate)
CID 88779396
bis(butoxymethanedithioate);palladium(2+)
CID 141393221
nickel(2+);bis(pentoxymethanedithioate)
CID 14619578
sodium pentoxymethanedithioate
CID 23679263
ethoxymethanedithioic acid
CID 8823

Frequently Asked Questions

What is the IUPAC name of lithium ethoxymethanedithioate?
The IUPAC name of lithium ethoxymethanedithioate (CID 23681493) is lithium ethoxymethanedithioate.
What is the SMILES notation for lithium ethoxymethanedithioate?
The canonical SMILES for lithium ethoxymethanedithioate is CCOC(=S)[S-].[Li+].
What is the InChIKey of lithium ethoxymethanedithioate?
The InChIKey is SKMLRDJQWWVKDZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6OS2.Li/c1-2-4-3(5)6;/h2H2,1H3,(H,5,6);/q;+1/p-1.
What are the key properties of lithium ethoxymethanedithioate?
lithium ethoxymethanedithioate has a molecular weight of 128.15 g/mol, XLogP of -2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium ethoxymethanedithioate is sourced from PubChem (CID 23681493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).