3-fluoro-2-phenylpropane-1-thiol

C9H11FS — CID 173255366

IUPAC3-fluoro-2-phenylpropane-1-thiol
SMILESFCC(CS)c1ccccc1
InChIInChI=1S/C9H11FS/c10-6-9(7-11)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2
InChIKeyARGHRENEMSKNCB-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.67
Rot. Bonds3

About 3-fluoro-2-phenylpropane-1-thiol

3-fluoro-2-phenylpropane-1-thiol (PubChem CID 173255366) has the molecular formula C9H11FS and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-fluoro-2-phenylpropane-1-thiol.

Molecular Properties

Compound Name3-fluoro-2-phenylpropane-1-thiol
PubChem CID173255366
Molecular FormulaC9H11FS
Molecular Weight170.25 g/mol
Exact Mass170.06
IUPAC Name3-fluoro-2-phenylpropane-1-thiol
SMILESFCC(CS)c1ccccc1
InChIInChI=1S/C9H11FS/c10-6-9(7-11)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2
InChIKeyARGHRENEMSKNCB-UHFFFAOYSA-N
XLogP2.67
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-fluoro-2-phenylpropane-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

(1,5-difluoro-4-phenylpentan-2-yl)benzene
CID 59266877
3-(2,2-difluoroethoxy)-2-phenylpropane-1-thiol
CID 82010530
(4R)-5-fluoro-4-phenylpentan-2-one
CID 101477163
4-(1-phenyl-3-sulfanylpropan-2-yl)phenol;hydrochloride
CID 173351855
3-(5-fluoro-2-methylphenoxy)-2-phenylpropane-1-thiol
CID 102988842
azane;pentan-3-ylbenzene
CID 19774895
ethyl 4-fluoro-3-phenylbutanoate
CID 121436006
fluoromethoxy(phenyl)methanethiol
CID 173402867
(2S,5S)-2,5-diphenylhexane-1,6-diol
CID 102169365
3-(4-butan-2-ylphenoxy)-2-phenylpropane-1-thiol
CID 107669466
3-(3-methoxy-3-methylbutoxy)-2-phenylpropane-1-thiol
CID 106668916
3-amino-2-(4-fluorophenyl)propane-1-thiol
CID 117245030

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-phenylpropane-1-thiol?
The IUPAC name of 3-fluoro-2-phenylpropane-1-thiol (CID 173255366) is 3-fluoro-2-phenylpropane-1-thiol.
What is the SMILES notation for 3-fluoro-2-phenylpropane-1-thiol?
The canonical SMILES for 3-fluoro-2-phenylpropane-1-thiol is FCC(CS)c1ccccc1.
What is the InChIKey of 3-fluoro-2-phenylpropane-1-thiol?
The InChIKey is ARGHRENEMSKNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FS/c10-6-9(7-11)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2.
What are the key properties of 3-fluoro-2-phenylpropane-1-thiol?
3-fluoro-2-phenylpropane-1-thiol has a molecular weight of 170.25 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-phenylpropane-1-thiol is sourced from PubChem (CID 173255366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).