lithium (4-fluorophenyl)methanethiolate

C7H6FLiS — CID 23688006

IUPAClithium (4-fluorophenyl)methanethiolate
SMILESFc1ccc(C[S-])cc1.[Li+]
InChIInChI=1S/C7H7FS.Li/c8-7-3-1-6(5-9)2-4-7;/h1-4,9H,5H2;/q;+1/p-1
InChIKeyQYRUUZKXFHSWBO-UHFFFAOYSA-M
MW148.13 g/mol
LogP-1.12
Rot. Bonds1

About lithium (4-fluorophenyl)methanethiolate

lithium (4-fluorophenyl)methanethiolate (PubChem CID 23688006) has the molecular formula C7H6FLiS and a molecular weight of 148.13 g/mol. Its IUPAC name is lithium (4-fluorophenyl)methanethiolate.

Molecular Properties

Compound Namelithium (4-fluorophenyl)methanethiolate
PubChem CID23688006
Molecular FormulaC7H6FLiS
Molecular Weight148.13 g/mol
Exact Mass148.03
IUPAC Namelithium (4-fluorophenyl)methanethiolate
SMILESFc1ccc(C[S-])cc1.[Li+]
InChIInChI=1S/C7H7FS.Li/c8-7-3-1-6(5-9)2-4-7;/h1-4,9H,5H2;/q;+1/p-1
InChIKeyQYRUUZKXFHSWBO-UHFFFAOYSA-M
XLogP-1.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.13
LogP ≤ 5-1.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

lithium 2-(4-fluorophenyl)ethanolate
CID 101196561
sodium 1-ethyl-4-fluorobenzene
CID 174390986
1,4-difluorobenzene bromide
CID 21301175
(4-fluorophenyl)methanesulfonamide
CID 16785078
1-fluoro-4-propylbenzene
CID 2737505
ethane;(4-fluorophenyl)methanamine
CID 142071105
magnesium;1-(bromomethyl)-4-fluorobenzene;hydride
CID 173010719
(4-phenylphenyl)methanethiolate
CID 101163476
2-(4-fluorophenyl)ethyl methanesulfonate
CID 15036433
2-(4-fluorophenyl)ethylazanium iodide
CID 155288874
1-ethyl-4-(4-fluorophenyl)benzene
CID 21432911
1-fluoro-4-methylbenzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene
CID 144561335

Frequently Asked Questions

What is the IUPAC name of lithium (4-fluorophenyl)methanethiolate?
The IUPAC name of lithium (4-fluorophenyl)methanethiolate (CID 23688006) is lithium (4-fluorophenyl)methanethiolate.
What is the SMILES notation for lithium (4-fluorophenyl)methanethiolate?
The canonical SMILES for lithium (4-fluorophenyl)methanethiolate is Fc1ccc(C[S-])cc1.[Li+].
What is the InChIKey of lithium (4-fluorophenyl)methanethiolate?
The InChIKey is QYRUUZKXFHSWBO-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7FS.Li/c8-7-3-1-6(5-9)2-4-7;/h1-4,9H,5H2;/q;+1/p-1.
What are the key properties of lithium (4-fluorophenyl)methanethiolate?
lithium (4-fluorophenyl)methanethiolate has a molecular weight of 148.13 g/mol, XLogP of -1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (4-fluorophenyl)methanethiolate is sourced from PubChem (CID 23688006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).