[4-(4-fluorophenyl)sulfanylphenyl]methanamine

C13H12FNS — CID 43528882

IUPAC[4-(4-fluorophenyl)sulfanylphenyl]methanamine
SMILESNCc1ccc(Sc2ccc(F)cc2)cc1
InChIInChI=1S/C13H12FNS/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-8H,9,15H2
InChIKeyKJTXHQSTASGELX-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.44
Rot. Bonds3

About [4-(4-fluorophenyl)sulfanylphenyl]methanamine

[4-(4-fluorophenyl)sulfanylphenyl]methanamine (PubChem CID 43528882) has the molecular formula C13H12FNS and a molecular weight of 233.31 g/mol. Its IUPAC name is [4-(4-fluorophenyl)sulfanylphenyl]methanamine.

Molecular Properties

Compound Name[4-(4-fluorophenyl)sulfanylphenyl]methanamine
PubChem CID43528882
Molecular FormulaC13H12FNS
Molecular Weight233.31 g/mol
Exact Mass233.07
IUPAC Name[4-(4-fluorophenyl)sulfanylphenyl]methanamine
SMILESNCc1ccc(Sc2ccc(F)cc2)cc1
InChIInChI=1S/C13H12FNS/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-8H,9,15H2
InChIKeyKJTXHQSTASGELX-UHFFFAOYSA-N
XLogP3.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)sulfanylphenyl]methanamine?
The IUPAC name of [4-(4-fluorophenyl)sulfanylphenyl]methanamine (CID 43528882) is [4-(4-fluorophenyl)sulfanylphenyl]methanamine.
What is the SMILES notation for [4-(4-fluorophenyl)sulfanylphenyl]methanamine?
The canonical SMILES for [4-(4-fluorophenyl)sulfanylphenyl]methanamine is NCc1ccc(Sc2ccc(F)cc2)cc1.
What is the InChIKey of [4-(4-fluorophenyl)sulfanylphenyl]methanamine?
The InChIKey is KJTXHQSTASGELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNS/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-8H,9,15H2.
What are the key properties of [4-(4-fluorophenyl)sulfanylphenyl]methanamine?
[4-(4-fluorophenyl)sulfanylphenyl]methanamine has a molecular weight of 233.31 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)sulfanylphenyl]methanamine is sourced from PubChem (CID 43528882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).