lithium ethylsulfanylbenzene

C8H9LiS — CID 86020148

IUPAClithium ethylsulfanylbenzene
SMILESCCSc1[c-]cccc1.[Li+]
InChIInChI=1S/C8H9S.Li/c1-2-9-8-6-4-3-5-7-8;/h3-6H,2H2,1H3;/q-1;+1
InChIKeyGOLGRBNRCJFPLF-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.40
Rot. Bonds2

About lithium ethylsulfanylbenzene

lithium ethylsulfanylbenzene (PubChem CID 86020148) has the molecular formula C8H9LiS and a molecular weight of 144.17 g/mol. Its IUPAC name is lithium ethylsulfanylbenzene.

Molecular Properties

Compound Namelithium ethylsulfanylbenzene
PubChem CID86020148
Molecular FormulaC8H9LiS
Molecular Weight144.17 g/mol
Exact Mass144.06
IUPAC Namelithium ethylsulfanylbenzene
SMILESCCSc1[c-]cccc1.[Li+]
InChIInChI=1S/C8H9S.Li/c1-2-9-8-6-4-3-5-7-8;/h3-6H,2H2,1H3;/q-1;+1
InChIKeyGOLGRBNRCJFPLF-UHFFFAOYSA-N
XLogP-0.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.40
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 ethylsulfanylbenzene?
The IUPAC name of lithium ethylsulfanylbenzene (CID 86020148) is lithium ethylsulfanylbenzene.
What is the SMILES notation for lithium ethylsulfanylbenzene?
The canonical SMILES for lithium ethylsulfanylbenzene is CCSc1[c-]cccc1.[Li+].
What is the InChIKey of lithium ethylsulfanylbenzene?
The InChIKey is GOLGRBNRCJFPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9S.Li/c1-2-9-8-6-4-3-5-7-8;/h3-6H,2H2,1H3;/q-1;+1.
What are the key properties of lithium ethylsulfanylbenzene?
lithium ethylsulfanylbenzene has a molecular weight of 144.17 g/mol, XLogP of -0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium ethylsulfanylbenzene is sourced from PubChem (CID 86020148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).