Lithium 1,3-dithian-2-ide

C4H7LiS2 — CID 10931441

IUPAC—
SMILES[CH-]1SCCCS1.[Li+]
InChIInChI=1S/C4H7S2.Li/c1-2-5-4-6-3-1;/h4H,1-3H2;/q-1;+1
InChIKeyHFNMXYWDJQCFDD-UHFFFAOYSA-N
MW126.17 g/mol
LogP-1.02
Rot. Bonds

About Lithium 1,3-dithian-2-ide

Lithium 1,3-dithian-2-ide (PubChem CID 10931441) has the molecular formula C4H7LiS2 and a molecular weight of 126.17 g/mol.

Molecular Properties

Compound NameLithium 1,3-dithian-2-ide
PubChem CID10931441
Molecular FormulaC4H7LiS2
Molecular Weight126.17 g/mol
Exact Mass126.01
IUPAC Name—
SMILES[CH-]1SCCCS1.[Li+]
InChIInChI=1S/C4H7S2.Li/c1-2-5-4-6-3-1;/h4H,1-3H2;/q-1;+1
InChIKeyHFNMXYWDJQCFDD-UHFFFAOYSA-N
XLogP-1.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.17
LogP ≤ 5-1.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of Lithium 1,3-dithian-2-ide?
The IUPAC name of Lithium 1,3-dithian-2-ide (CID 10931441) is not available.
What is the SMILES notation for Lithium 1,3-dithian-2-ide?
The canonical SMILES for Lithium 1,3-dithian-2-ide is [CH-]1SCCCS1.[Li+].
What is the InChIKey of Lithium 1,3-dithian-2-ide?
The InChIKey is HFNMXYWDJQCFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7S2.Li/c1-2-5-4-6-3-1;/h4H,1-3H2;/q-1;+1.
What are the key properties of Lithium 1,3-dithian-2-ide?
Lithium 1,3-dithian-2-ide has a molecular weight of 126.17 g/mol, XLogP of -1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Lithium 1,3-dithian-2-ide is sourced from PubChem (CID 10931441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).