2-(4-bromophenyl)sulfanyl-6-fluoroaniline

C12H9BrFNS — CID 60788721

IUPAC2-(4-bromophenyl)sulfanyl-6-fluoroaniline
SMILESNc1c(F)cccc1Sc1ccc(Br)cc1
InChIInChI=1S/C12H9BrFNS/c13-8-4-6-9(7-5-8)16-11-3-1-2-10(14)12(11)15/h1-7H,15H2
InChIKeyOUXZPPSAULAHBT-UHFFFAOYSA-N
MW298.18 g/mol
LogP4.32
Rot. Bonds2

About 2-(4-bromophenyl)sulfanyl-6-fluoroaniline

2-(4-bromophenyl)sulfanyl-6-fluoroaniline (PubChem CID 60788721) has the molecular formula C12H9BrFNS and a molecular weight of 298.18 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-6-fluoroaniline.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-6-fluoroaniline
PubChem CID60788721
Molecular FormulaC12H9BrFNS
Molecular Weight298.18 g/mol
Exact Mass296.96
IUPAC Name2-(4-bromophenyl)sulfanyl-6-fluoroaniline
SMILESNc1c(F)cccc1Sc1ccc(Br)cc1
InChIInChI=1S/C12H9BrFNS/c13-8-4-6-9(7-5-8)16-11-3-1-2-10(14)12(11)15/h1-7H,15H2
InChIKeyOUXZPPSAULAHBT-UHFFFAOYSA-N
XLogP4.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 54.32
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

(1R)-1-[2-(4-bromophenyl)sulfanyl-6-fluorophenyl]ethanamine
CID 55184086
5-bromo-2-(4-bromophenyl)sulfanyl-4-fluoroaniline
CID 66109602
S-(2-amino-3-fluorophenyl)thiohydroxylamine
CID 143826025
2-(4-bromophenyl)sulfanylphenol
CID 102267343
4-(4-bromophenyl)sulfanyl-3,5-difluoroaniline
CID 54902494
2-(2,5-dichlorophenyl)sulfanyl-6-fluoroaniline
CID 54920833
2-(4-bromophenyl)sulfanyl-6-fluoropyridine
CID 61229959
[4-(4-bromophenyl)sulfanyl-3-fluorophenyl]methanamine
CID 43657614
1-bromo-4-(2-methylphenyl)sulfanylbenzene;ethane
CID 143619217
2-fluoro-6-(1,3,4-thiadiazol-2-ylsulfanyl)aniline
CID 60789217
(1R)-1-[4-(4-bromophenyl)sulfanyl-3-fluorophenyl]ethanamine
CID 63370337
2-bromo-6-fluoroaniline;dihydrofluoride
CID 174694012

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-6-fluoroaniline?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-6-fluoroaniline (CID 60788721) is 2-(4-bromophenyl)sulfanyl-6-fluoroaniline.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-6-fluoroaniline?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-6-fluoroaniline is Nc1c(F)cccc1Sc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-6-fluoroaniline?
The InChIKey is OUXZPPSAULAHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNS/c13-8-4-6-9(7-5-8)16-11-3-1-2-10(14)12(11)15/h1-7H,15H2.
What are the key properties of 2-(4-bromophenyl)sulfanyl-6-fluoroaniline?
2-(4-bromophenyl)sulfanyl-6-fluoroaniline has a molecular weight of 298.18 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-6-fluoroaniline is sourced from PubChem (CID 60788721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).