3-(2-fluorophenyl)prop-2-ene-1-thiol

C9H9FS — CID 169454551

IUPAC3-(2-fluorophenyl)prop-2-ene-1-thiol
SMILESFc1ccccc1C=CCS
InChIInChI=1S/C9H9FS/c10-9-6-2-1-4-8(9)5-3-7-11/h1-6,11H,7H2
InChIKeyKFUPTJHMENBZAI-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.77
Rot. Bonds2

About 3-(2-fluorophenyl)prop-2-ene-1-thiol

3-(2-fluorophenyl)prop-2-ene-1-thiol (PubChem CID 169454551) has the molecular formula C9H9FS and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-(2-fluorophenyl)prop-2-ene-1-thiol.

Molecular Properties

Compound Name3-(2-fluorophenyl)prop-2-ene-1-thiol
PubChem CID169454551
Molecular FormulaC9H9FS
Molecular Weight168.24 g/mol
Exact Mass168.04
IUPAC Name3-(2-fluorophenyl)prop-2-ene-1-thiol
SMILESFc1ccccc1C=CCS
InChIInChI=1S/C9H9FS/c10-9-6-2-1-4-8(9)5-3-7-11/h1-6,11H,7H2
InChIKeyKFUPTJHMENBZAI-UHFFFAOYSA-N
XLogP2.77
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(2-fluorophenyl)prop-2-ene-1-thiol with MolForge

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

Launch Full Analysis

Related Compounds

3-(3-fluoro-2-methoxyphenyl)prop-2-ene-1-thiol
CID 169455021
2-(3-sulfanylprop-1-enyl)phenol
CID 169454568
1-fluoro-2-[(Z)-4-methylpent-1-enyl]benzene
CID 84820301
3-[2-(difluoromethyl)phenyl]prop-2-ene-1-thiol
CID 169454974
3-[2-(difluoromethoxy)phenyl]prop-2-ene-1-thiol
CID 169455478
(E)-3-(2-fluorophenyl)prop-2-ene-1-sulfonyl chloride
CID 83715559
N-ethyl-3-(2-fluorophenyl)prop-2-en-1-amine
CID 79347239
3-[5-(aminomethyl)-2-fluorophenyl]prop-2-ene-1-thiol
CID 169455152
[2-fluoro-3-(3-sulfanylprop-1-enyl)phenyl]methanol
CID 169455044
[3-fluoro-4-(3-sulfanylprop-1-enyl)phenyl]methanol
CID 169455042
1-fluoro-2-[(Z)-2-phenylethenyl]benzene
CID 46218050
3-(2-chloro-6-fluorophenyl)prop-2-ene-1-thiol
CID 169454698

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)prop-2-ene-1-thiol?
The IUPAC name of 3-(2-fluorophenyl)prop-2-ene-1-thiol (CID 169454551) is 3-(2-fluorophenyl)prop-2-ene-1-thiol.
What is the SMILES notation for 3-(2-fluorophenyl)prop-2-ene-1-thiol?
The canonical SMILES for 3-(2-fluorophenyl)prop-2-ene-1-thiol is Fc1ccccc1C=CCS.
What is the InChIKey of 3-(2-fluorophenyl)prop-2-ene-1-thiol?
The InChIKey is KFUPTJHMENBZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FS/c10-9-6-2-1-4-8(9)5-3-7-11/h1-6,11H,7H2.
What are the key properties of 3-(2-fluorophenyl)prop-2-ene-1-thiol?
3-(2-fluorophenyl)prop-2-ene-1-thiol has a molecular weight of 168.24 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)prop-2-ene-1-thiol is sourced from PubChem (CID 169454551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).