lithium 1,3-dimethyl-2-[2-methyl-1,1-bis(methylsulfanyl)propan-2-yl]-4,5-dihydroimidazol-1-ium

C11H22LiN2S2+ — CID 177424668

IUPAClithium 1,3-dimethyl-2-[2-methyl-1,1-bis(methylsulfanyl)propan-2-yl]-4,5-dihydroimidazol-1-ium
SMILESCS[C-](SC)C(C)(C)C1=[N+](C)CCN1C.[Li+]
InChIInChI=1S/C11H22N2S2.Li/c1-11(2,10(14-5)15-6)9-12(3)7-8-13(9)4;/h7-8H2,1-6H3;/q;+1
InChIKeyQWYFLZPLMQSGTQ-UHFFFAOYSA-N
MW253.39 g/mol
LogP-0.78
Rot. Bonds4

About lithium 1,3-dimethyl-2-[2-methyl-1,1-bis(methylsulfanyl)propan-2-yl]-4,5-dihydroimidazol-1-ium

lithium 1,3-dimethyl-2-[2-methyl-1,1-bis(methylsulfanyl)propan-2-yl]-4,5-dihydroimidazol-1-ium (PubChem CID 177424668) has the molecular formula C11H22LiN2S2+ and a molecular weight of 253.39 g/mol. Its IUPAC name is lithium 1,3-dimethyl-2-[2-methyl-1,1-bis(methylsulfanyl)propan-2-yl]-4,5-dihydroimidazol-1-ium.

Molecular Properties

Compound Namelithium 1,3-dimethyl-2-[2-methyl-1,1-bis(methylsulfanyl)propan-2-yl]-4,5-dihydroimidazol-1-ium
PubChem CID177424668
Molecular FormulaC11H22LiN2S2+
Molecular Weight253.39 g/mol
Exact Mass253.14
IUPAC Namelithium 1,3-dimethyl-2-[2-methyl-1,1-bis(methylsulfanyl)propan-2-yl]-4,5-dihydroimidazol-1-ium
SMILESCS[C-](SC)C(C)(C)C1=[N+](C)CCN1C.[Li+]
InChIInChI=1S/C11H22N2S2.Li/c1-11(2,10(14-5)15-6)9-12(3)7-8-13(9)4;/h7-8H2,1-6H3;/q;+1
InChIKeyQWYFLZPLMQSGTQ-UHFFFAOYSA-N
XLogP-0.78
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 5-0.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze lithium 1,3-dimethyl-2-[2-methyl-1,1-bis(methylsulfanyl)propan-2-yl]-4,5-dihydroimidazol-1-ium with MolForge

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Launch Full Analysis

Related Compounds

2-(1,3-Dimethyl-4,5-dihydroimidazol-1-ium-2-yl)-2-methylpropanedithioate
CID 15400893
Methyl 2-(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)-2-methylpropanedithioate
CID 100934843
1,3-Dimethyl-2-[2-methyl-1,1-bis(methylsulfanyl)propan-2-yl]-4,5-dihydroimidazol-1-ium
CID 100934845

Frequently Asked Questions

What is the IUPAC name of lithium 1,3-dimethyl-2-[2-methyl-1,1-bis(methylsulfanyl)propan-2-yl]-4,5-dihydroimidazol-1-ium?
The IUPAC name of lithium 1,3-dimethyl-2-[2-methyl-1,1-bis(methylsulfanyl)propan-2-yl]-4,5-dihydroimidazol-1-ium (CID 177424668) is lithium 1,3-dimethyl-2-[2-methyl-1,1-bis(methylsulfanyl)propan-2-yl]-4,5-dihydroimidazol-1-ium.
What is the SMILES notation for lithium 1,3-dimethyl-2-[2-methyl-1,1-bis(methylsulfanyl)propan-2-yl]-4,5-dihydroimidazol-1-ium?
The canonical SMILES for lithium 1,3-dimethyl-2-[2-methyl-1,1-bis(methylsulfanyl)propan-2-yl]-4,5-dihydroimidazol-1-ium is CS[C-](SC)C(C)(C)C1=[N+](C)CCN1C.[Li+].
What is the InChIKey of lithium 1,3-dimethyl-2-[2-methyl-1,1-bis(methylsulfanyl)propan-2-yl]-4,5-dihydroimidazol-1-ium?
The InChIKey is QWYFLZPLMQSGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S2.Li/c1-11(2,10(14-5)15-6)9-12(3)7-8-13(9)4;/h7-8H2,1-6H3;/q;+1.
What are the key properties of lithium 1,3-dimethyl-2-[2-methyl-1,1-bis(methylsulfanyl)propan-2-yl]-4,5-dihydroimidazol-1-ium?
lithium 1,3-dimethyl-2-[2-methyl-1,1-bis(methylsulfanyl)propan-2-yl]-4,5-dihydroimidazol-1-ium has a molecular weight of 253.39 g/mol, XLogP of -0.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,3-dimethyl-2-[2-methyl-1,1-bis(methylsulfanyl)propan-2-yl]-4,5-dihydroimidazol-1-ium is sourced from PubChem (CID 177424668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).