dilithium;2-sulfanylidene-[1,3]dithiolo[4,5-b][1,4]dithiine-5,6-dithiolate

C5Li2S7 — CID 134986881

IUPACdilithium;2-sulfanylidene-[1,3]dithiolo[4,5-b][1,4]dithiine-5,6-dithiolate
SMILESS=c1sc2c(s1)SC([S-])=C([S-])S2.[Li+].[Li+]
InChIInChI=1S/C5H2S7.2Li/c6-1-2(7)10-4-3(9-1)11-5(8)12-4;;/h6-7H;;/q;2*+1/p-2
InChIKeyDGWWDFOLAOQPLG-UHFFFAOYSA-L
MW298.41 g/mol
LogP-2.03
Rot. Bonds

About dilithium;2-sulfanylidene-[1,3]dithiolo[4,5-b][1,4]dithiine-5,6-dithiolate

dilithium;2-sulfanylidene-[1,3]dithiolo[4,5-b][1,4]dithiine-5,6-dithiolate (PubChem CID 134986881) has the molecular formula C5Li2S7 and a molecular weight of 298.41 g/mol. Its IUPAC name is dilithium;2-sulfanylidene-[1,3]dithiolo[4,5-b][1,4]dithiine-5,6-dithiolate.

Molecular Properties

Compound Namedilithium;2-sulfanylidene-[1,3]dithiolo[4,5-b][1,4]dithiine-5,6-dithiolate
PubChem CID134986881
Molecular FormulaC5Li2S7
Molecular Weight298.41 g/mol
Exact Mass297.84
IUPAC Namedilithium;2-sulfanylidene-[1,3]dithiolo[4,5-b][1,4]dithiine-5,6-dithiolate
SMILESS=c1sc2c(s1)SC([S-])=C([S-])S2.[Li+].[Li+]
InChIInChI=1S/C5H2S7.2Li/c6-1-2(7)10-4-3(9-1)11-5(8)12-4;;/h6-7H;;/q;2*+1/p-2
InChIKeyDGWWDFOLAOQPLG-UHFFFAOYSA-L
XLogP-2.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 5-2.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze dilithium;2-sulfanylidene-[1,3]dithiolo[4,5-b][1,4]dithiine-5,6-dithiolate 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;2-sulfanylidene-[1,3]dithiolo[4,5-b][1,4]dithiine-5,6-dithiolate?
The IUPAC name of dilithium;2-sulfanylidene-[1,3]dithiolo[4,5-b][1,4]dithiine-5,6-dithiolate (CID 134986881) is dilithium;2-sulfanylidene-[1,3]dithiolo[4,5-b][1,4]dithiine-5,6-dithiolate.
What is the SMILES notation for dilithium;2-sulfanylidene-[1,3]dithiolo[4,5-b][1,4]dithiine-5,6-dithiolate?
The canonical SMILES for dilithium;2-sulfanylidene-[1,3]dithiolo[4,5-b][1,4]dithiine-5,6-dithiolate is S=c1sc2c(s1)SC([S-])=C([S-])S2.[Li+].[Li+].
What is the InChIKey of dilithium;2-sulfanylidene-[1,3]dithiolo[4,5-b][1,4]dithiine-5,6-dithiolate?
The InChIKey is DGWWDFOLAOQPLG-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H2S7.2Li/c6-1-2(7)10-4-3(9-1)11-5(8)12-4;;/h6-7H;;/q;2*+1/p-2.
What are the key properties of dilithium;2-sulfanylidene-[1,3]dithiolo[4,5-b][1,4]dithiine-5,6-dithiolate?
dilithium;2-sulfanylidene-[1,3]dithiolo[4,5-b][1,4]dithiine-5,6-dithiolate has a molecular weight of 298.41 g/mol, XLogP of -2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;2-sulfanylidene-[1,3]dithiolo[4,5-b][1,4]dithiine-5,6-dithiolate is sourced from PubChem (CID 134986881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).