[4-(trifluoromethylsulfanyl)phenyl]azanium

C7H7F3NS+ — CID 4103282

IUPAC[4-(trifluoromethylsulfanyl)phenyl]azanium
SMILES[NH3+]c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C7H6F3NS/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4H,11H2/p+1
InChIKeyOHHHTUXVBNGOGI-UHFFFAOYSA-O
MW194.20 g/mol
LogP2.17
Rot. Bonds1

About [4-(trifluoromethylsulfanyl)phenyl]azanium

[4-(trifluoromethylsulfanyl)phenyl]azanium (PubChem CID 4103282) has the molecular formula C7H7F3NS+ and a molecular weight of 194.20 g/mol. Its IUPAC name is [4-(trifluoromethylsulfanyl)phenyl]azanium.

Molecular Properties

Compound Name[4-(trifluoromethylsulfanyl)phenyl]azanium
PubChem CID4103282
Molecular FormulaC7H7F3NS+
Molecular Weight194.20 g/mol
Exact Mass194.02
IUPAC Name[4-(trifluoromethylsulfanyl)phenyl]azanium
SMILES[NH3+]c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C7H6F3NS/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4H,11H2/p+1
InChIKeyOHHHTUXVBNGOGI-UHFFFAOYSA-O
XLogP2.17
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethylsulfanyl)phenyl]azanium?
The IUPAC name of [4-(trifluoromethylsulfanyl)phenyl]azanium (CID 4103282) is [4-(trifluoromethylsulfanyl)phenyl]azanium.
What is the SMILES notation for [4-(trifluoromethylsulfanyl)phenyl]azanium?
The canonical SMILES for [4-(trifluoromethylsulfanyl)phenyl]azanium is [NH3+]c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of [4-(trifluoromethylsulfanyl)phenyl]azanium?
The InChIKey is OHHHTUXVBNGOGI-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H6F3NS/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4H,11H2/p+1.
What are the key properties of [4-(trifluoromethylsulfanyl)phenyl]azanium?
[4-(trifluoromethylsulfanyl)phenyl]azanium has a molecular weight of 194.20 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethylsulfanyl)phenyl]azanium is sourced from PubChem (CID 4103282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).