[4-(trifluoromethyl)phenyl]methanethiol

C8H7F3S — CID 2761422

IUPAC[4-(trifluoromethyl)phenyl]methanethiol
SMILESFC(F)(F)c1ccc(CS)cc1
InChIInChI=1S/C8H7F3S/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4,12H,5H2
InChIKeySLLFVTOOYVXCPG-UHFFFAOYSA-N
MW192.21 g/mol
LogP3.14
Rot. Bonds1

About [4-(trifluoromethyl)phenyl]methanethiol

[4-(trifluoromethyl)phenyl]methanethiol (PubChem CID 2761422) has the molecular formula C8H7F3S and a molecular weight of 192.21 g/mol. Its IUPAC name is [4-(trifluoromethyl)phenyl]methanethiol.

Molecular Properties

Compound Name[4-(trifluoromethyl)phenyl]methanethiol
PubChem CID2761422
Molecular FormulaC8H7F3S
Molecular Weight192.21 g/mol
Exact Mass192.02
IUPAC Name[4-(trifluoromethyl)phenyl]methanethiol
SMILESFC(F)(F)c1ccc(CS)cc1
InChIInChI=1S/C8H7F3S/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4,12H,5H2
InChIKeySLLFVTOOYVXCPG-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [4-(trifluoromethyl)phenyl]methanethiol 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 [4-(trifluoromethyl)phenyl]methanethiol?
The IUPAC name of [4-(trifluoromethyl)phenyl]methanethiol (CID 2761422) is [4-(trifluoromethyl)phenyl]methanethiol.
What is the SMILES notation for [4-(trifluoromethyl)phenyl]methanethiol?
The canonical SMILES for [4-(trifluoromethyl)phenyl]methanethiol is FC(F)(F)c1ccc(CS)cc1.
What is the InChIKey of [4-(trifluoromethyl)phenyl]methanethiol?
The InChIKey is SLLFVTOOYVXCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3S/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4,12H,5H2.
What are the key properties of [4-(trifluoromethyl)phenyl]methanethiol?
[4-(trifluoromethyl)phenyl]methanethiol has a molecular weight of 192.21 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)phenyl]methanethiol is sourced from PubChem (CID 2761422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).