lithium propan-2-ylsulfonylbenzene

C9H11LiO2S — CID 11095399

IUPAClithium propan-2-ylsulfonylbenzene
SMILESC[C-](C)S(=O)(=O)c1ccccc1.[Li+]
InChIInChI=1S/C9H11O2S.Li/c1-8(2)12(10,11)9-6-4-3-5-7-9;/h3-7H,1-2H3;/q-1;+1
InChIKeyGCRDPJWUMGPJGL-UHFFFAOYSA-N
MW190.19 g/mol
LogP-0.96
Rot. Bonds2

About lithium propan-2-ylsulfonylbenzene

lithium propan-2-ylsulfonylbenzene (PubChem CID 11095399) has the molecular formula C9H11LiO2S and a molecular weight of 190.19 g/mol. Its IUPAC name is lithium propan-2-ylsulfonylbenzene.

Molecular Properties

Compound Namelithium propan-2-ylsulfonylbenzene
PubChem CID11095399
Molecular FormulaC9H11LiO2S
Molecular Weight190.19 g/mol
Exact Mass190.06
IUPAC Namelithium propan-2-ylsulfonylbenzene
SMILESC[C-](C)S(=O)(=O)c1ccccc1.[Li+]
InChIInChI=1S/C9H11O2S.Li/c1-8(2)12(10,11)9-6-4-3-5-7-9;/h3-7H,1-2H3;/q-1;+1
InChIKeyGCRDPJWUMGPJGL-UHFFFAOYSA-N
XLogP-0.96
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 5-0.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 propan-2-ylsulfonylbenzene?
The IUPAC name of lithium propan-2-ylsulfonylbenzene (CID 11095399) is lithium propan-2-ylsulfonylbenzene.
What is the SMILES notation for lithium propan-2-ylsulfonylbenzene?
The canonical SMILES for lithium propan-2-ylsulfonylbenzene is C[C-](C)S(=O)(=O)c1ccccc1.[Li+].
What is the InChIKey of lithium propan-2-ylsulfonylbenzene?
The InChIKey is GCRDPJWUMGPJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O2S.Li/c1-8(2)12(10,11)9-6-4-3-5-7-9;/h3-7H,1-2H3;/q-1;+1.
What are the key properties of lithium propan-2-ylsulfonylbenzene?
lithium propan-2-ylsulfonylbenzene has a molecular weight of 190.19 g/mol, XLogP of -0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium propan-2-ylsulfonylbenzene is sourced from PubChem (CID 11095399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).