lithium 6-ethyl-2,4-dihydrothiopyran-2-ide

C7H9LiS — CID 20633572

IUPAClithium 6-ethyl-2,4-dihydrothiopyran-2-ide
SMILESCCC1=CCC=[C-]S1.[Li+]
InChIInChI=1S/C7H9S.Li/c1-2-7-5-3-4-6-8-7;/h4-5H,2-3H2,1H3;/q-1;+1
InChIKeyBPUQULBFQVFSTH-UHFFFAOYSA-N
MW132.16 g/mol
LogP-0.26
Rot. Bonds1

About lithium 6-ethyl-2,4-dihydrothiopyran-2-ide

lithium 6-ethyl-2,4-dihydrothiopyran-2-ide (PubChem CID 20633572) has the molecular formula C7H9LiS and a molecular weight of 132.16 g/mol. Its IUPAC name is lithium 6-ethyl-2,4-dihydrothiopyran-2-ide.

Molecular Properties

Compound Namelithium 6-ethyl-2,4-dihydrothiopyran-2-ide
PubChem CID20633572
Molecular FormulaC7H9LiS
Molecular Weight132.16 g/mol
Exact Mass132.06
IUPAC Namelithium 6-ethyl-2,4-dihydrothiopyran-2-ide
SMILESCCC1=CCC=[C-]S1.[Li+]
InChIInChI=1S/C7H9S.Li/c1-2-7-5-3-4-6-8-7;/h4-5H,2-3H2,1H3;/q-1;+1
InChIKeyBPUQULBFQVFSTH-UHFFFAOYSA-N
XLogP-0.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 6-ethyl-2,4-dihydrothiopyran-2-ide?
The IUPAC name of lithium 6-ethyl-2,4-dihydrothiopyran-2-ide (CID 20633572) is lithium 6-ethyl-2,4-dihydrothiopyran-2-ide.
What is the SMILES notation for lithium 6-ethyl-2,4-dihydrothiopyran-2-ide?
The canonical SMILES for lithium 6-ethyl-2,4-dihydrothiopyran-2-ide is CCC1=CCC=[C-]S1.[Li+].
What is the InChIKey of lithium 6-ethyl-2,4-dihydrothiopyran-2-ide?
The InChIKey is BPUQULBFQVFSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9S.Li/c1-2-7-5-3-4-6-8-7;/h4-5H,2-3H2,1H3;/q-1;+1.
What are the key properties of lithium 6-ethyl-2,4-dihydrothiopyran-2-ide?
lithium 6-ethyl-2,4-dihydrothiopyran-2-ide has a molecular weight of 132.16 g/mol, XLogP of -0.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 6-ethyl-2,4-dihydrothiopyran-2-ide is sourced from PubChem (CID 20633572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).