5-fluoro-2-methoxybenzenethiol

C7H7FOS — CID 2759008

IUPAC5-fluoro-2-methoxybenzenethiol
SMILESCOc1ccc(F)cc1S
InChIInChI=1S/C7H7FOS/c1-9-6-3-2-5(8)4-7(6)10/h2-4,10H,1H3
InChIKeyVXZCEQOKTGGBOB-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.12
Rot. Bonds1

About 5-fluoro-2-methoxybenzenethiol

5-fluoro-2-methoxybenzenethiol (PubChem CID 2759008) has the molecular formula C7H7FOS and a molecular weight of 158.20 g/mol. Its IUPAC name is 5-fluoro-2-methoxybenzenethiol.

Molecular Properties

Compound Name5-fluoro-2-methoxybenzenethiol
PubChem CID2759008
Molecular FormulaC7H7FOS
Molecular Weight158.20 g/mol
Exact Mass158.02
IUPAC Name5-fluoro-2-methoxybenzenethiol
SMILESCOc1ccc(F)cc1S
InChIInChI=1S/C7H7FOS/c1-9-6-3-2-5(8)4-7(6)10/h2-4,10H,1H3
InChIKeyVXZCEQOKTGGBOB-UHFFFAOYSA-N
XLogP2.12
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-fluoro-2-methoxybenzenethiol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxybenzenethiol?
The IUPAC name of 5-fluoro-2-methoxybenzenethiol (CID 2759008) is 5-fluoro-2-methoxybenzenethiol.
What is the SMILES notation for 5-fluoro-2-methoxybenzenethiol?
The canonical SMILES for 5-fluoro-2-methoxybenzenethiol is COc1ccc(F)cc1S.
What is the InChIKey of 5-fluoro-2-methoxybenzenethiol?
The InChIKey is VXZCEQOKTGGBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FOS/c1-9-6-3-2-5(8)4-7(6)10/h2-4,10H,1H3.
What are the key properties of 5-fluoro-2-methoxybenzenethiol?
5-fluoro-2-methoxybenzenethiol has a molecular weight of 158.20 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxybenzenethiol is sourced from PubChem (CID 2759008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).