Lithium 1-oxo-1lambda~4~,3-dithian-2-ide

C4H7LiOS2 — CID 71400923

IUPAC—
SMILESO=S1[CH-]SCCC1.[Li+]
InChIInChI=1S/C4H7OS2.Li/c5-7-3-1-2-6-4-7;/h4H,1-3H2;/q-1;+1
InChIKeyMZUJQDJBCBCVDF-UHFFFAOYSA-N
MW142.17 g/mol
LogP-2.00
Rot. Bonds

About Lithium 1-oxo-1lambda~4~,3-dithian-2-ide

Lithium 1-oxo-1lambda~4~,3-dithian-2-ide (PubChem CID 71400923) has the molecular formula C4H7LiOS2 and a molecular weight of 142.17 g/mol.

Molecular Properties

Compound NameLithium 1-oxo-1lambda~4~,3-dithian-2-ide
PubChem CID71400923
Molecular FormulaC4H7LiOS2
Molecular Weight142.17 g/mol
Exact Mass142.01
IUPAC Name—
SMILESO=S1[CH-]SCCC1.[Li+]
InChIInChI=1S/C4H7OS2.Li/c5-7-3-1-2-6-4-7;/h4H,1-3H2;/q-1;+1
InChIKeyMZUJQDJBCBCVDF-UHFFFAOYSA-N
XLogP-2.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.17
LogP ≤ 5-2.00
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-oxo-1lambda~4~,3-dithian-2-ide?
The IUPAC name of Lithium 1-oxo-1lambda~4~,3-dithian-2-ide (CID 71400923) is not available.
What is the SMILES notation for Lithium 1-oxo-1lambda~4~,3-dithian-2-ide?
The canonical SMILES for Lithium 1-oxo-1lambda~4~,3-dithian-2-ide is O=S1[CH-]SCCC1.[Li+].
What is the InChIKey of Lithium 1-oxo-1lambda~4~,3-dithian-2-ide?
The InChIKey is MZUJQDJBCBCVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7OS2.Li/c5-7-3-1-2-6-4-7;/h4H,1-3H2;/q-1;+1.
What are the key properties of Lithium 1-oxo-1lambda~4~,3-dithian-2-ide?
Lithium 1-oxo-1lambda~4~,3-dithian-2-ide has a molecular weight of 142.17 g/mol, XLogP of -2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Lithium 1-oxo-1lambda~4~,3-dithian-2-ide is sourced from PubChem (CID 71400923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).