lithium 4-fluoro-3-methylsulfanylbenzoate

C8H6FLiO2S — CID 23704329

IUPAClithium 4-fluoro-3-methylsulfanylbenzoate
SMILESCSc1cc(C(=O)[O-])ccc1F.[Li+]
InChIInChI=1S/C8H7FO2S.Li/c1-12-7-4-5(8(10)11)2-3-6(7)9;/h2-4H,1H3,(H,10,11);/q;+1/p-1
InChIKeyZUSKSNXCBMQBBN-UHFFFAOYSA-M
MW192.14 g/mol
LogP-2.08
Rot. Bonds2

About lithium 4-fluoro-3-methylsulfanylbenzoate

lithium 4-fluoro-3-methylsulfanylbenzoate (PubChem CID 23704329) has the molecular formula C8H6FLiO2S and a molecular weight of 192.14 g/mol. Its IUPAC name is lithium 4-fluoro-3-methylsulfanylbenzoate.

Molecular Properties

Compound Namelithium 4-fluoro-3-methylsulfanylbenzoate
PubChem CID23704329
Molecular FormulaC8H6FLiO2S
Molecular Weight192.14 g/mol
Exact Mass192.02
IUPAC Namelithium 4-fluoro-3-methylsulfanylbenzoate
SMILESCSc1cc(C(=O)[O-])ccc1F.[Li+]
InChIInChI=1S/C8H7FO2S.Li/c1-12-7-4-5(8(10)11)2-3-6(7)9;/h2-4H,1H3,(H,10,11);/q;+1/p-1
InChIKeyZUSKSNXCBMQBBN-UHFFFAOYSA-M
XLogP-2.08
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 5-2.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze lithium 4-fluoro-3-methylsulfanylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluoro-3-methylsulfanylphenyl)-2-oxoacetic acid
CID 117305140
4-fluoro-3-(trifluoromethyl)benzoate
CID 6921666
dilithium;terephthalate
CID 14361651
3-fluoro-4-methoxybenzoate
CID 4251674
N-(4-fluoro-3-methylsulfanylphenyl)acetamide
CID 91881077
4-fluoro-3-(4-methylsulfonylphenyl)sulfanylbenzoic acid
CID 80549528
2,2-dichloro-1-(4-fluoro-3-methylsulfanylphenyl)ethanol
CID 164892667
4-fluoro-3-(2-methoxyethylsulfamoyl)benzoate
CID 9160422
4-(4-fluoro-3-methoxyphenyl)benzoate
CID 86307174
3-fluoro-N-methyl-4-methylsulfanylbenzamide
CID 149067923
bis(propan-2-olate);terephthalate;titanium(4+)
CID 158702932
tris(naphthalene-2,6-dicarboxylate);bis(ruthenium(3+))
CID 175019109

Frequently Asked Questions

What is the IUPAC name of lithium 4-fluoro-3-methylsulfanylbenzoate?
The IUPAC name of lithium 4-fluoro-3-methylsulfanylbenzoate (CID 23704329) is lithium 4-fluoro-3-methylsulfanylbenzoate.
What is the SMILES notation for lithium 4-fluoro-3-methylsulfanylbenzoate?
The canonical SMILES for lithium 4-fluoro-3-methylsulfanylbenzoate is CSc1cc(C(=O)[O-])ccc1F.[Li+].
What is the InChIKey of lithium 4-fluoro-3-methylsulfanylbenzoate?
The InChIKey is ZUSKSNXCBMQBBN-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H7FO2S.Li/c1-12-7-4-5(8(10)11)2-3-6(7)9;/h2-4H,1H3,(H,10,11);/q;+1/p-1.
What are the key properties of lithium 4-fluoro-3-methylsulfanylbenzoate?
lithium 4-fluoro-3-methylsulfanylbenzoate has a molecular weight of 192.14 g/mol, XLogP of -2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4-fluoro-3-methylsulfanylbenzoate is sourced from PubChem (CID 23704329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).