CID 53493538

C7H10Li2OS2 — CID 53493538

IUPAC—
SMILESC=CC([O-])[C-]1SCCCS1.[Li+].[Li+]
InChIInChI=1S/C7H10OS2.2Li/c1-2-6(8)7-9-4-3-5-10-7;;/h2,6H,1,3-5H2;;/q-2;2*+1
InChIKeyJKSGHFKQJIKCOM-UHFFFAOYSA-N
MW188.17 g/mol
LogP-4.73
Rot. Bonds2

About CID 53493538

CID 53493538 (PubChem CID 53493538) has the molecular formula C7H10Li2OS2 and a molecular weight of 188.17 g/mol.

Molecular Properties

Compound NameCID 53493538
PubChem CID53493538
Molecular FormulaC7H10Li2OS2
Molecular Weight188.17 g/mol
Exact Mass188.05
IUPAC Name—
SMILESC=CC([O-])[C-]1SCCCS1.[Li+].[Li+]
InChIInChI=1S/C7H10OS2.2Li/c1-2-6(8)7-9-4-3-5-10-7;;/h2,6H,1,3-5H2;;/q-2;2*+1
InChIKeyJKSGHFKQJIKCOM-UHFFFAOYSA-N
XLogP-4.73
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.17
LogP ≤ 5-4.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 53493538 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 CID 53493538?
The IUPAC name of CID 53493538 (CID 53493538) is not available.
What is the SMILES notation for CID 53493538?
The canonical SMILES for CID 53493538 is C=CC([O-])[C-]1SCCCS1.[Li+].[Li+].
What is the InChIKey of CID 53493538?
The InChIKey is JKSGHFKQJIKCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10OS2.2Li/c1-2-6(8)7-9-4-3-5-10-7;;/h2,6H,1,3-5H2;;/q-2;2*+1.
What are the key properties of CID 53493538?
CID 53493538 has a molecular weight of 188.17 g/mol, XLogP of -4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 53493538 is sourced from PubChem (CID 53493538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).