CID 134942531

C8H12Li2OS2 — CID 134942531

IUPAC—
SMILES[Li+].[Li+].[O-]C/C=C\C[C-]1SCCCS1
InChIInChI=1S/C8H12OS2.2Li/c9-5-2-1-4-8-10-6-3-7-11-8;;/h1-2H,3-7H2;;/q-2;2*+1/b2-1-;;
InChIKeyMBGBLFMVXXHGEM-UAIGNFCESA-N
MW202.20 g/mol
LogP-4.34
Rot. Bonds3

About CID 134942531

CID 134942531 (PubChem CID 134942531) has the molecular formula C8H12Li2OS2 and a molecular weight of 202.20 g/mol.

Molecular Properties

Compound NameCID 134942531
PubChem CID134942531
Molecular FormulaC8H12Li2OS2
Molecular Weight202.20 g/mol
Exact Mass202.06
IUPAC Name—
SMILES[Li+].[Li+].[O-]C/C=C\C[C-]1SCCCS1
InChIInChI=1S/C8H12OS2.2Li/c9-5-2-1-4-8-10-6-3-7-11-8;;/h1-2H,3-7H2;;/q-2;2*+1/b2-1-;;
InChIKeyMBGBLFMVXXHGEM-UAIGNFCESA-N
XLogP-4.34
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 5-4.34
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'}

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Frequently Asked Questions

What is the IUPAC name of CID 134942531?
The IUPAC name of CID 134942531 (CID 134942531) is not available.
What is the SMILES notation for CID 134942531?
The canonical SMILES for CID 134942531 is [Li+].[Li+].[O-]C/C=C\C[C-]1SCCCS1.
What is the InChIKey of CID 134942531?
The InChIKey is MBGBLFMVXXHGEM-UAIGNFCESA-N. The full InChI is InChI=1S/C8H12OS2.2Li/c9-5-2-1-4-8-10-6-3-7-11-8;;/h1-2H,3-7H2;;/q-2;2*+1/b2-1-;;.
What are the key properties of CID 134942531?
CID 134942531 has a molecular weight of 202.20 g/mol, XLogP of -4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134942531 is sourced from PubChem (CID 134942531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).