4-thiophen-2-ylsulfanyl-3-(trifluoromethyl)aniline

C11H8F3NS2 — CID 54935999

IUPAC4-thiophen-2-ylsulfanyl-3-(trifluoromethyl)aniline
SMILESNc1ccc(Sc2cccs2)c(C(F)(F)F)c1
InChIInChI=1S/C11H8F3NS2/c12-11(13,14)8-6-7(15)3-4-9(8)17-10-2-1-5-16-10/h1-6H,15H2
InChIKeyCNYTZBYZBIPQOU-UHFFFAOYSA-N
MW275.32 g/mol
LogP4.50
Rot. Bonds2

About 4-thiophen-2-ylsulfanyl-3-(trifluoromethyl)aniline

4-thiophen-2-ylsulfanyl-3-(trifluoromethyl)aniline (PubChem CID 54935999) has the molecular formula C11H8F3NS2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 4-thiophen-2-ylsulfanyl-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-thiophen-2-ylsulfanyl-3-(trifluoromethyl)aniline
PubChem CID54935999
Molecular FormulaC11H8F3NS2
Molecular Weight275.32 g/mol
Exact Mass275.01
IUPAC Name4-thiophen-2-ylsulfanyl-3-(trifluoromethyl)aniline
SMILESNc1ccc(Sc2cccs2)c(C(F)(F)F)c1
InChIInChI=1S/C11H8F3NS2/c12-11(13,14)8-6-7(15)3-4-9(8)17-10-2-1-5-16-10/h1-6H,15H2
InChIKeyCNYTZBYZBIPQOU-UHFFFAOYSA-N
XLogP4.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-ylsulfanyl-3-(trifluoromethyl)aniline?
The IUPAC name of 4-thiophen-2-ylsulfanyl-3-(trifluoromethyl)aniline (CID 54935999) is 4-thiophen-2-ylsulfanyl-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-thiophen-2-ylsulfanyl-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-thiophen-2-ylsulfanyl-3-(trifluoromethyl)aniline is Nc1ccc(Sc2cccs2)c(C(F)(F)F)c1.
What is the InChIKey of 4-thiophen-2-ylsulfanyl-3-(trifluoromethyl)aniline?
The InChIKey is CNYTZBYZBIPQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NS2/c12-11(13,14)8-6-7(15)3-4-9(8)17-10-2-1-5-16-10/h1-6H,15H2.
What are the key properties of 4-thiophen-2-ylsulfanyl-3-(trifluoromethyl)aniline?
4-thiophen-2-ylsulfanyl-3-(trifluoromethyl)aniline has a molecular weight of 275.32 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-ylsulfanyl-3-(trifluoromethyl)aniline is sourced from PubChem (CID 54935999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).