lithium ethanethiolate

C2H5LiS — CID 10866251

IUPAClithium ethanethiolate
SMILESCC[S-].[Li+]
InChIInChI=1S/C2H6S.Li/c1-2-3;/h3H,2H2,1H3;/q;+1/p-1
InChIKeyJPSNJFMTQIIVFG-UHFFFAOYSA-M
MW68.07 g/mol
LogP-2.44
Rot. Bonds

About lithium ethanethiolate

lithium ethanethiolate (PubChem CID 10866251) has the molecular formula C2H5LiS and a molecular weight of 68.07 g/mol. Its IUPAC name is lithium ethanethiolate.

Molecular Properties

Compound Namelithium ethanethiolate
PubChem CID10866251
Molecular FormulaC2H5LiS
Molecular Weight68.07 g/mol
Exact Mass68.03
IUPAC Namelithium ethanethiolate
SMILESCC[S-].[Li+]
InChIInChI=1S/C2H6S.Li/c1-2-3;/h3H,2H2,1H3;/q;+1/p-1
InChIKeyJPSNJFMTQIIVFG-UHFFFAOYSA-M
XLogP-2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50068.07
LogP ≤ 5-2.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium ethanethiolate?
The IUPAC name of lithium ethanethiolate (CID 10866251) is lithium ethanethiolate.
What is the SMILES notation for lithium ethanethiolate?
The canonical SMILES for lithium ethanethiolate is CC[S-].[Li+].
What is the InChIKey of lithium ethanethiolate?
The InChIKey is JPSNJFMTQIIVFG-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H6S.Li/c1-2-3;/h3H,2H2,1H3;/q;+1/p-1.
What are the key properties of lithium ethanethiolate?
lithium ethanethiolate has a molecular weight of 68.07 g/mol, XLogP of -2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium ethanethiolate is sourced from PubChem (CID 10866251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).