2-fluorobenzenethiol

C6H5FS — CID 520216

IUPAC2-fluorobenzenethiol
SMILESFc1ccccc1S
InChIInChI=1S/C6H5FS/c7-5-3-1-2-4-6(5)8/h1-4,8H
InChIKeyWJTZZPVVTSDNJJ-UHFFFAOYSA-N
MW128.17 g/mol
LogP2.11
Rot. Bonds

About 2-fluorobenzenethiol

2-fluorobenzenethiol (PubChem CID 520216) has the molecular formula C6H5FS and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-fluorobenzenethiol.

Molecular Properties

Compound Name2-fluorobenzenethiol
PubChem CID520216
Molecular FormulaC6H5FS
Molecular Weight128.17 g/mol
Exact Mass128.01
IUPAC Name2-fluorobenzenethiol
SMILESFc1ccccc1S
InChIInChI=1S/C6H5FS/c7-5-3-1-2-4-6(5)8/h1-4,8H
InChIKeyWJTZZPVVTSDNJJ-UHFFFAOYSA-N
XLogP2.11
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluorobenzenethiol?
The IUPAC name of 2-fluorobenzenethiol (CID 520216) is 2-fluorobenzenethiol.
What is the SMILES notation for 2-fluorobenzenethiol?
The canonical SMILES for 2-fluorobenzenethiol is Fc1ccccc1S.
What is the InChIKey of 2-fluorobenzenethiol?
The InChIKey is WJTZZPVVTSDNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FS/c7-5-3-1-2-4-6(5)8/h1-4,8H.
What are the key properties of 2-fluorobenzenethiol?
2-fluorobenzenethiol has a molecular weight of 128.17 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorobenzenethiol is sourced from PubChem (CID 520216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).