2-(2-fluorophenyl)sulfanyl-5-methylsulfanylaniline

C13H12FNS2 — CID 14615422

IUPAC2-(2-fluorophenyl)sulfanyl-5-methylsulfanylaniline
SMILESCSc1ccc(Sc2ccccc2F)c(N)c1
InChIInChI=1S/C13H12FNS2/c1-16-9-6-7-13(11(15)8-9)17-12-5-3-2-4-10(12)14/h2-8H,15H2,1H3
InChIKeyFCYNKGAMJNERTB-UHFFFAOYSA-N
MW265.38 g/mol
LogP4.28
Rot. Bonds3

About 2-(2-fluorophenyl)sulfanyl-5-methylsulfanylaniline

2-(2-fluorophenyl)sulfanyl-5-methylsulfanylaniline (PubChem CID 14615422) has the molecular formula C13H12FNS2 and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-5-methylsulfanylaniline.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-5-methylsulfanylaniline
PubChem CID14615422
Molecular FormulaC13H12FNS2
Molecular Weight265.38 g/mol
Exact Mass265.04
IUPAC Name2-(2-fluorophenyl)sulfanyl-5-methylsulfanylaniline
SMILESCSc1ccc(Sc2ccccc2F)c(N)c1
InChIInChI=1S/C13H12FNS2/c1-16-9-6-7-13(11(15)8-9)17-12-5-3-2-4-10(12)14/h2-8H,15H2,1H3
InChIKeyFCYNKGAMJNERTB-UHFFFAOYSA-N
XLogP4.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 54.28
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 2-(2-fluorophenyl)sulfanyl-5-methylsulfanylaniline?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-5-methylsulfanylaniline (CID 14615422) is 2-(2-fluorophenyl)sulfanyl-5-methylsulfanylaniline.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-5-methylsulfanylaniline?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-5-methylsulfanylaniline is CSc1ccc(Sc2ccccc2F)c(N)c1.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-5-methylsulfanylaniline?
The InChIKey is FCYNKGAMJNERTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNS2/c1-16-9-6-7-13(11(15)8-9)17-12-5-3-2-4-10(12)14/h2-8H,15H2,1H3.
What are the key properties of 2-(2-fluorophenyl)sulfanyl-5-methylsulfanylaniline?
2-(2-fluorophenyl)sulfanyl-5-methylsulfanylaniline has a molecular weight of 265.38 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanyl-5-methylsulfanylaniline is sourced from PubChem (CID 14615422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).