1-thiophen-2-yl-2-(trifluoromethylsulfanyl)ethanone

C7H5F3OS2 — CID 141408220

IUPAC1-thiophen-2-yl-2-(trifluoromethylsulfanyl)ethanone
SMILESO=C(CSC(F)(F)F)c1cccs1
InChIInChI=1S/C7H5F3OS2/c8-7(9,10)13-4-5(11)6-2-1-3-12-6/h1-3H,4H2
InChIKeyPIUIWRYPGZXXOP-UHFFFAOYSA-N
MW226.24 g/mol
LogP3.18
Rot. Bonds3

About 1-thiophen-2-yl-2-(trifluoromethylsulfanyl)ethanone

1-thiophen-2-yl-2-(trifluoromethylsulfanyl)ethanone (PubChem CID 141408220) has the molecular formula C7H5F3OS2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 1-thiophen-2-yl-2-(trifluoromethylsulfanyl)ethanone.

Molecular Properties

Compound Name1-thiophen-2-yl-2-(trifluoromethylsulfanyl)ethanone
PubChem CID141408220
Molecular FormulaC7H5F3OS2
Molecular Weight226.24 g/mol
Exact Mass225.97
IUPAC Name1-thiophen-2-yl-2-(trifluoromethylsulfanyl)ethanone
SMILESO=C(CSC(F)(F)F)c1cccs1
InChIInChI=1S/C7H5F3OS2/c8-7(9,10)13-4-5(11)6-2-1-3-12-6/h1-3H,4H2
InChIKeyPIUIWRYPGZXXOP-UHFFFAOYSA-N
XLogP3.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-thiophen-2-yl-2-(trifluoromethylsulfanyl)ethanone 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

2-Thiophenecarboxaldehyde
CID 7364
Thenoyltrifluoroacetone
CID 5601
2-Acetylthiophene
CID 6920
2-Propionylthiophene
CID 26179
2-Acetyl-5-methylthiophene
CID 83655
2-Butanoylthiophene
CID 79248
2-Pentanoylthiophene
CID 574100
1,3-Hexanedione, 4,4,5,5,6,6,6-heptafluoro-1-(2-thienyl)-
CID 68411
2,2'-Thenil
CID 275005
2-(Chloroacetyl)thiophene
CID 2757925
2-Oxo-2-(2-thienyl)ethyl thiocyanate
CID 4000219
2-Thienyl ketone
CID 69713

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-2-(trifluoromethylsulfanyl)ethanone?
The IUPAC name of 1-thiophen-2-yl-2-(trifluoromethylsulfanyl)ethanone (CID 141408220) is 1-thiophen-2-yl-2-(trifluoromethylsulfanyl)ethanone.
What is the SMILES notation for 1-thiophen-2-yl-2-(trifluoromethylsulfanyl)ethanone?
The canonical SMILES for 1-thiophen-2-yl-2-(trifluoromethylsulfanyl)ethanone is O=C(CSC(F)(F)F)c1cccs1.
What is the InChIKey of 1-thiophen-2-yl-2-(trifluoromethylsulfanyl)ethanone?
The InChIKey is PIUIWRYPGZXXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3OS2/c8-7(9,10)13-4-5(11)6-2-1-3-12-6/h1-3H,4H2.
What are the key properties of 1-thiophen-2-yl-2-(trifluoromethylsulfanyl)ethanone?
1-thiophen-2-yl-2-(trifluoromethylsulfanyl)ethanone has a molecular weight of 226.24 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-2-(trifluoromethylsulfanyl)ethanone is sourced from PubChem (CID 141408220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).