5-fluoro-2-(2-phenylsulfanylethylsulfanyl)aniline

C14H14FNS2 — CID 79222282

IUPAC5-fluoro-2-(2-phenylsulfanylethylsulfanyl)aniline
SMILESNc1cc(F)ccc1SCCSc1ccccc1
InChIInChI=1S/C14H14FNS2/c15-11-6-7-14(13(16)10-11)18-9-8-17-12-4-2-1-3-5-12/h1-7,10H,8-9,16H2
InChIKeyVGNOKGDQUBHRSO-UHFFFAOYSA-N
MW279.41 g/mol
LogP4.29
Rot. Bonds5

About 5-fluoro-2-(2-phenylsulfanylethylsulfanyl)aniline

5-fluoro-2-(2-phenylsulfanylethylsulfanyl)aniline (PubChem CID 79222282) has the molecular formula C14H14FNS2 and a molecular weight of 279.41 g/mol. Its IUPAC name is 5-fluoro-2-(2-phenylsulfanylethylsulfanyl)aniline.

Molecular Properties

Compound Name5-fluoro-2-(2-phenylsulfanylethylsulfanyl)aniline
PubChem CID79222282
Molecular FormulaC14H14FNS2
Molecular Weight279.41 g/mol
Exact Mass279.06
IUPAC Name5-fluoro-2-(2-phenylsulfanylethylsulfanyl)aniline
SMILESNc1cc(F)ccc1SCCSc1ccccc1
InChIInChI=1S/C14H14FNS2/c15-11-6-7-14(13(16)10-11)18-9-8-17-12-4-2-1-3-5-12/h1-7,10H,8-9,16H2
InChIKeyVGNOKGDQUBHRSO-UHFFFAOYSA-N
XLogP4.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-(2-phenoxyethylsulfanyl)aniline
CID 43304229
2-[2-(2-aminoethoxy)ethylsulfanyl]-5-fluoroaniline
CID 103482663
2-(2-amino-4-fluorophenyl)sulfanyl-1-phenylethanol
CID 60883938
5-fluoro-2-(3-methoxypropylsulfanyl)aniline
CID 60926666
4-fluoro-2-[2-(2-fluorophenyl)sulfanylethylsulfanyl]aniline
CID 79147727
5-fluoro-2-(2-phenylsulfanylethylsulfinyl)aniline
CID 81191446
5-fluoro-2-(2-phenylsulfanylethylsulfonyl)aniline
CID 81184875
2-[2-(4-fluorophenyl)sulfanylethylsulfanyl]phenol
CID 62000695
2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-5-fluoroaniline
CID 43304030
5-fluoro-2-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]aniline
CID 54962136
4-[2-(2-amino-4-fluorophenyl)sulfanylethoxy]benzoic acid
CID 61317623
5-fluoro-2-(methoxymethylsulfanyl)aniline
CID 65364453

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-phenylsulfanylethylsulfanyl)aniline?
The IUPAC name of 5-fluoro-2-(2-phenylsulfanylethylsulfanyl)aniline (CID 79222282) is 5-fluoro-2-(2-phenylsulfanylethylsulfanyl)aniline.
What is the SMILES notation for 5-fluoro-2-(2-phenylsulfanylethylsulfanyl)aniline?
The canonical SMILES for 5-fluoro-2-(2-phenylsulfanylethylsulfanyl)aniline is Nc1cc(F)ccc1SCCSc1ccccc1.
What is the InChIKey of 5-fluoro-2-(2-phenylsulfanylethylsulfanyl)aniline?
The InChIKey is VGNOKGDQUBHRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNS2/c15-11-6-7-14(13(16)10-11)18-9-8-17-12-4-2-1-3-5-12/h1-7,10H,8-9,16H2.
What are the key properties of 5-fluoro-2-(2-phenylsulfanylethylsulfanyl)aniline?
5-fluoro-2-(2-phenylsulfanylethylsulfanyl)aniline has a molecular weight of 279.41 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-phenylsulfanylethylsulfanyl)aniline is sourced from PubChem (CID 79222282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).