4-fluoro-2-phenylsulfanylaniline

C12H10FNS — CID 10513075

IUPAC4-fluoro-2-phenylsulfanylaniline
SMILESNc1ccc(F)cc1Sc1ccccc1
InChIInChI=1S/C12H10FNS/c13-9-6-7-11(14)12(8-9)15-10-4-2-1-3-5-10/h1-8H,14H2
InChIKeySWLWFGHLXXGBNA-UHFFFAOYSA-N
MW219.28 g/mol
LogP3.56
Rot. Bonds2

About 4-fluoro-2-phenylsulfanylaniline

4-fluoro-2-phenylsulfanylaniline (PubChem CID 10513075) has the molecular formula C12H10FNS and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-fluoro-2-phenylsulfanylaniline.

Molecular Properties

Compound Name4-fluoro-2-phenylsulfanylaniline
PubChem CID10513075
Molecular FormulaC12H10FNS
Molecular Weight219.28 g/mol
Exact Mass219.05
IUPAC Name4-fluoro-2-phenylsulfanylaniline
SMILESNc1ccc(F)cc1Sc1ccccc1
InChIInChI=1S/C12H10FNS/c13-9-6-7-11(14)12(8-9)15-10-4-2-1-3-5-10/h1-8H,14H2
InChIKeySWLWFGHLXXGBNA-UHFFFAOYSA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-fluoro-2-phenylsulfanylaniline?
The IUPAC name of 4-fluoro-2-phenylsulfanylaniline (CID 10513075) is 4-fluoro-2-phenylsulfanylaniline.
What is the SMILES notation for 4-fluoro-2-phenylsulfanylaniline?
The canonical SMILES for 4-fluoro-2-phenylsulfanylaniline is Nc1ccc(F)cc1Sc1ccccc1.
What is the InChIKey of 4-fluoro-2-phenylsulfanylaniline?
The InChIKey is SWLWFGHLXXGBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNS/c13-9-6-7-11(14)12(8-9)15-10-4-2-1-3-5-10/h1-8H,14H2.
What are the key properties of 4-fluoro-2-phenylsulfanylaniline?
4-fluoro-2-phenylsulfanylaniline has a molecular weight of 219.28 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-phenylsulfanylaniline is sourced from PubChem (CID 10513075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).