2-ethyl-4-fluorobenzenethiol

C8H9FS — CID 91874071

IUPAC2-ethyl-4-fluorobenzenethiol
SMILESCCc1cc(F)ccc1S
InChIInChI=1S/C8H9FS/c1-2-6-5-7(9)3-4-8(6)10/h3-5,10H,2H2,1H3
InChIKeyLVGMLSBCEZBLFM-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.68
Rot. Bonds1

About 2-ethyl-4-fluorobenzenethiol

2-ethyl-4-fluorobenzenethiol (PubChem CID 91874071) has the molecular formula C8H9FS and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-ethyl-4-fluorobenzenethiol.

Molecular Properties

Compound Name2-ethyl-4-fluorobenzenethiol
PubChem CID91874071
Molecular FormulaC8H9FS
Molecular Weight156.22 g/mol
Exact Mass156.04
IUPAC Name2-ethyl-4-fluorobenzenethiol
SMILESCCc1cc(F)ccc1S
InChIInChI=1S/C8H9FS/c1-2-6-5-7(9)3-4-8(6)10/h3-5,10H,2H2,1H3
InChIKeyLVGMLSBCEZBLFM-UHFFFAOYSA-N
XLogP2.68
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-(methylsulfanylmethyl)benzenethiol
CID 123278102
2-(5-fluoro-2-sulfanylphenyl)acetaldehyde
CID 87632015
2-ethyl-1,4-difluorobenzene
CID 23202513
2-ethylbenzene-1,4-dithiol;propane
CID 142232645
2-ethyl-4-fluorobenzoic acid
CID 22101376
2-ethyl-1-(2-ethyl-4-fluorophenyl)sulfonyl-4-fluorobenzene
CID 68919271
(2-ethyl-4-fluorophenyl)boronic acid
CID 90206315
4-fluoro-2-[(4-methylpiperazin-1-yl)methyl]benzenethiol
CID 91656917
2-ethyl-1,4-difluorobenzene;octane
CID 144692824
1-(2-ethyl-5-fluorophenyl)-N-methylmethanamine
CID 84765258
1-ethyl-7-fluoronaphthalene
CID 166534047
(2-ethyl-4-fluorophenyl)hydrazine
CID 131054552

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-fluorobenzenethiol?
The IUPAC name of 2-ethyl-4-fluorobenzenethiol (CID 91874071) is 2-ethyl-4-fluorobenzenethiol.
What is the SMILES notation for 2-ethyl-4-fluorobenzenethiol?
The canonical SMILES for 2-ethyl-4-fluorobenzenethiol is CCc1cc(F)ccc1S.
What is the InChIKey of 2-ethyl-4-fluorobenzenethiol?
The InChIKey is LVGMLSBCEZBLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FS/c1-2-6-5-7(9)3-4-8(6)10/h3-5,10H,2H2,1H3.
What are the key properties of 2-ethyl-4-fluorobenzenethiol?
2-ethyl-4-fluorobenzenethiol has a molecular weight of 156.22 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-fluorobenzenethiol is sourced from PubChem (CID 91874071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).