dilithium;phenylsulfonylbenzene

C12H8Li2O2S — CID 15026453

IUPACdilithium;phenylsulfonylbenzene
SMILESO=S(=O)(c1[c-]cccc1)c1[c-]cccc1.[Li+].[Li+]
InChIInChI=1S/C12H8O2S.2Li/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;;/h1-7,9H;;/q-2;2*+1
InChIKeyBQQMWCKCWVIVBD-UHFFFAOYSA-N
MW230.14 g/mol
LogP-3.87
Rot. Bonds2

About dilithium;phenylsulfonylbenzene

dilithium;phenylsulfonylbenzene (PubChem CID 15026453) has the molecular formula C12H8Li2O2S and a molecular weight of 230.14 g/mol. Its IUPAC name is dilithium;phenylsulfonylbenzene.

Molecular Properties

Compound Namedilithium;phenylsulfonylbenzene
PubChem CID15026453
Molecular FormulaC12H8Li2O2S
Molecular Weight230.14 g/mol
Exact Mass230.06
IUPAC Namedilithium;phenylsulfonylbenzene
SMILESO=S(=O)(c1[c-]cccc1)c1[c-]cccc1.[Li+].[Li+]
InChIInChI=1S/C12H8O2S.2Li/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;;/h1-7,9H;;/q-2;2*+1
InChIKeyBQQMWCKCWVIVBD-UHFFFAOYSA-N
XLogP-3.87
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 5-3.87
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of dilithium;phenylsulfonylbenzene?
The IUPAC name of dilithium;phenylsulfonylbenzene (CID 15026453) is dilithium;phenylsulfonylbenzene.
What is the SMILES notation for dilithium;phenylsulfonylbenzene?
The canonical SMILES for dilithium;phenylsulfonylbenzene is O=S(=O)(c1[c-]cccc1)c1[c-]cccc1.[Li+].[Li+].
What is the InChIKey of dilithium;phenylsulfonylbenzene?
The InChIKey is BQQMWCKCWVIVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O2S.2Li/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;;/h1-7,9H;;/q-2;2*+1.
What are the key properties of dilithium;phenylsulfonylbenzene?
dilithium;phenylsulfonylbenzene has a molecular weight of 230.14 g/mol, XLogP of -3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;phenylsulfonylbenzene is sourced from PubChem (CID 15026453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).