lithium 2,2-dimethyl-1-sulfinylbutane

C6H11LiOS — CID 176655432

IUPAClithium 2,2-dimethyl-1-sulfinylbutane
SMILESCCC(C)(C)[C-]=S=O.[Li+]
InChIInChI=1S/C6H11OS.Li/c1-4-6(2,3)5-8-7;/h4H2,1-3H3;/q-1;+1
InChIKeyWZNOYOCOLADODA-UHFFFAOYSA-N
MW138.16 g/mol
LogP-1.68
Rot. Bonds2

About lithium 2,2-dimethyl-1-sulfinylbutane

lithium 2,2-dimethyl-1-sulfinylbutane (PubChem CID 176655432) has the molecular formula C6H11LiOS and a molecular weight of 138.16 g/mol. Its IUPAC name is lithium 2,2-dimethyl-1-sulfinylbutane.

Molecular Properties

Compound Namelithium 2,2-dimethyl-1-sulfinylbutane
PubChem CID176655432
Molecular FormulaC6H11LiOS
Molecular Weight138.16 g/mol
Exact Mass138.07
IUPAC Namelithium 2,2-dimethyl-1-sulfinylbutane
SMILESCCC(C)(C)[C-]=S=O.[Li+]
InChIInChI=1S/C6H11OS.Li/c1-4-6(2,3)5-8-7;/h4H2,1-3H3;/q-1;+1
InChIKeyWZNOYOCOLADODA-UHFFFAOYSA-N
XLogP-1.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.16
LogP ≤ 5-1.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium 2,2-dimethyl-1-sulfinylbutane?
The IUPAC name of lithium 2,2-dimethyl-1-sulfinylbutane (CID 176655432) is lithium 2,2-dimethyl-1-sulfinylbutane.
What is the SMILES notation for lithium 2,2-dimethyl-1-sulfinylbutane?
The canonical SMILES for lithium 2,2-dimethyl-1-sulfinylbutane is CCC(C)(C)[C-]=S=O.[Li+].
What is the InChIKey of lithium 2,2-dimethyl-1-sulfinylbutane?
The InChIKey is WZNOYOCOLADODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11OS.Li/c1-4-6(2,3)5-8-7;/h4H2,1-3H3;/q-1;+1.
What are the key properties of lithium 2,2-dimethyl-1-sulfinylbutane?
lithium 2,2-dimethyl-1-sulfinylbutane has a molecular weight of 138.16 g/mol, XLogP of -1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2,2-dimethyl-1-sulfinylbutane is sourced from PubChem (CID 176655432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).