3-ethyl-4-fluorobenzenethiol

C8H9FS — CID 91874078

IUPAC3-ethyl-4-fluorobenzenethiol
SMILESCCc1cc(S)ccc1F
InChIInChI=1S/C8H9FS/c1-2-6-5-7(10)3-4-8(6)9/h3-5,10H,2H2,1H3
InChIKeyCBJYLNOGOHOGLU-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.68
Rot. Bonds1

About 3-ethyl-4-fluorobenzenethiol

3-ethyl-4-fluorobenzenethiol (PubChem CID 91874078) has the molecular formula C8H9FS and a molecular weight of 156.22 g/mol. Its IUPAC name is 3-ethyl-4-fluorobenzenethiol.

Molecular Properties

Compound Name3-ethyl-4-fluorobenzenethiol
PubChem CID91874078
Molecular FormulaC8H9FS
Molecular Weight156.22 g/mol
Exact Mass156.04
IUPAC Name3-ethyl-4-fluorobenzenethiol
SMILESCCc1cc(S)ccc1F
InChIInChI=1S/C8H9FS/c1-2-6-5-7(10)3-4-8(6)9/h3-5,10H,2H2,1H3
InChIKeyCBJYLNOGOHOGLU-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

3-(2,2-dimethylpropyl)-4-fluorobenzenethiol
CID 143689241
2-ethylbenzene-1,4-dithiol
CID 67232753
2-ethyl-1,4-difluorobenzene
CID 23202513
2-ethylbenzene-1,4-dithiol;propane
CID 142232645
2,4-diethyl-1-fluorobenzene;ethane
CID 143588111
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025
3-ethyl-5-fluoro-4-methylbenzenethiol
CID 91874505
3-(ethylamino)-4-fluorobenzenethiol
CID 135220038
2-ethyl-1,4-difluorobenzene;octane
CID 144692824
4-fluoro-3-pentan-3-ylbenzenethiol
CID 143472032
3-bromo-4-ethylbenzenethiol
CID 91873957
2-ethyl-1-fluoro-4-(fluoromethoxy)benzene
CID 118671621

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-fluorobenzenethiol?
The IUPAC name of 3-ethyl-4-fluorobenzenethiol (CID 91874078) is 3-ethyl-4-fluorobenzenethiol.
What is the SMILES notation for 3-ethyl-4-fluorobenzenethiol?
The canonical SMILES for 3-ethyl-4-fluorobenzenethiol is CCc1cc(S)ccc1F.
What is the InChIKey of 3-ethyl-4-fluorobenzenethiol?
The InChIKey is CBJYLNOGOHOGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FS/c1-2-6-5-7(10)3-4-8(6)9/h3-5,10H,2H2,1H3.
What are the key properties of 3-ethyl-4-fluorobenzenethiol?
3-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 3-ethyl-4-fluorobenzenethiol is sourced from PubChem (CID 91874078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).