6-(2-fluorophenyl)cyclohexa-2,4-diene-1-thione

C12H9FS — CID 173008157

IUPAC6-(2-fluorophenyl)cyclohexa-2,4-diene-1-thione
SMILESFc1ccccc1C1C=CC=CC1=S
InChIInChI=1S/C12H9FS/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8,10H
InChIKeyAMHXJXHXSWZDRS-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.41
Rot. Bonds1

About 6-(2-fluorophenyl)cyclohexa-2,4-diene-1-thione

6-(2-fluorophenyl)cyclohexa-2,4-diene-1-thione (PubChem CID 173008157) has the molecular formula C12H9FS and a molecular weight of 204.27 g/mol. Its IUPAC name is 6-(2-fluorophenyl)cyclohexa-2,4-diene-1-thione.

Molecular Properties

Compound Name6-(2-fluorophenyl)cyclohexa-2,4-diene-1-thione
PubChem CID173008157
Molecular FormulaC12H9FS
Molecular Weight204.27 g/mol
Exact Mass204.04
IUPAC Name6-(2-fluorophenyl)cyclohexa-2,4-diene-1-thione
SMILESFc1ccccc1C1C=CC=CC1=S
InChIInChI=1S/C12H9FS/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8,10H
InChIKeyAMHXJXHXSWZDRS-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 6-(2-fluorophenyl)cyclohexa-2,4-diene-1-thione 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 6-(2-fluorophenyl)cyclohexa-2,4-diene-1-thione?
The IUPAC name of 6-(2-fluorophenyl)cyclohexa-2,4-diene-1-thione (CID 173008157) is 6-(2-fluorophenyl)cyclohexa-2,4-diene-1-thione.
What is the SMILES notation for 6-(2-fluorophenyl)cyclohexa-2,4-diene-1-thione?
The canonical SMILES for 6-(2-fluorophenyl)cyclohexa-2,4-diene-1-thione is Fc1ccccc1C1C=CC=CC1=S.
What is the InChIKey of 6-(2-fluorophenyl)cyclohexa-2,4-diene-1-thione?
The InChIKey is AMHXJXHXSWZDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FS/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8,10H.
What are the key properties of 6-(2-fluorophenyl)cyclohexa-2,4-diene-1-thione?
6-(2-fluorophenyl)cyclohexa-2,4-diene-1-thione has a molecular weight of 204.27 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)cyclohexa-2,4-diene-1-thione is sourced from PubChem (CID 173008157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).