2-fluoro-6-phenylsulfanylaniline

C12H10FNS — CID 60789092

IUPAC2-fluoro-6-phenylsulfanylaniline
SMILESNc1c(F)cccc1Sc1ccccc1
InChIInChI=1S/C12H10FNS/c13-10-7-4-8-11(12(10)14)15-9-5-2-1-3-6-9/h1-8H,14H2
InChIKeyAJHCLWUUYXMRMZ-UHFFFAOYSA-N
MW219.28 g/mol
LogP3.56
Rot. Bonds2

About 2-fluoro-6-phenylsulfanylaniline

2-fluoro-6-phenylsulfanylaniline (PubChem CID 60789092) has the molecular formula C12H10FNS and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-fluoro-6-phenylsulfanylaniline.

Molecular Properties

Compound Name2-fluoro-6-phenylsulfanylaniline
PubChem CID60789092
Molecular FormulaC12H10FNS
Molecular Weight219.28 g/mol
Exact Mass219.05
IUPAC Name2-fluoro-6-phenylsulfanylaniline
SMILESNc1c(F)cccc1Sc1ccccc1
InChIInChI=1S/C12H10FNS/c13-10-7-4-8-11(12(10)14)15-9-5-2-1-3-6-9/h1-8H,14H2
InChIKeyAJHCLWUUYXMRMZ-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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Related Compounds

4,4'-Thiodianiline
CID 8765
1,2-Bis(2-aminophenylthio)ethane
CID 92343
2-(Phenylthio)aniline
CID 365393
Benzenamine, 2-(phenylsulfonyl)-
CID 77956
2-(Methylthio)aniline
CID 76337
2-(Isopropylthio)aniline
CID 13852720
4-(Phenylthio)aniline
CID 96081
Benzenamine, 2,2'-(methylenebis(thio))bis-
CID 93685
Aniline, 2,2'-(2-butenylenedithio)di-, (E)-
CID 5713752
Benzenamine, 2,2'-sulfonylbis-
CID 148620
2,2'-Diaminodiphenylsulfide
CID 612177
2-(Ethylthio)aniline
CID 10149009

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-phenylsulfanylaniline?
The IUPAC name of 2-fluoro-6-phenylsulfanylaniline (CID 60789092) is 2-fluoro-6-phenylsulfanylaniline.
What is the SMILES notation for 2-fluoro-6-phenylsulfanylaniline?
The canonical SMILES for 2-fluoro-6-phenylsulfanylaniline is Nc1c(F)cccc1Sc1ccccc1.
What is the InChIKey of 2-fluoro-6-phenylsulfanylaniline?
The InChIKey is AJHCLWUUYXMRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNS/c13-10-7-4-8-11(12(10)14)15-9-5-2-1-3-6-9/h1-8H,14H2.
What are the key properties of 2-fluoro-6-phenylsulfanylaniline?
2-fluoro-6-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 2-fluoro-6-phenylsulfanylaniline is sourced from PubChem (CID 60789092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).