(4-fluorophenyl)-(4-methylphenyl)sulfanylmethanamine

C14H14FNS — CID 142465274

IUPAC(4-fluorophenyl)-(4-methylphenyl)sulfanylmethanamine
SMILESCc1ccc(SC(N)c2ccc(F)cc2)cc1
InChIInChI=1S/C14H14FNS/c1-10-2-8-13(9-3-10)17-14(16)11-4-6-12(15)7-5-11/h2-9,14H,16H2,1H3
InChIKeyBTNBYJUCHBUEOT-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.88
Rot. Bonds3

About (4-fluorophenyl)-(4-methylphenyl)sulfanylmethanamine

(4-fluorophenyl)-(4-methylphenyl)sulfanylmethanamine (PubChem CID 142465274) has the molecular formula C14H14FNS and a molecular weight of 247.34 g/mol. Its IUPAC name is (4-fluorophenyl)-(4-methylphenyl)sulfanylmethanamine.

Molecular Properties

Compound Name(4-fluorophenyl)-(4-methylphenyl)sulfanylmethanamine
PubChem CID142465274
Molecular FormulaC14H14FNS
Molecular Weight247.34 g/mol
Exact Mass247.08
IUPAC Name(4-fluorophenyl)-(4-methylphenyl)sulfanylmethanamine
SMILESCc1ccc(SC(N)c2ccc(F)cc2)cc1
InChIInChI=1S/C14H14FNS/c1-10-2-8-13(9-3-10)17-14(16)11-4-6-12(15)7-5-11/h2-9,14H,16H2,1H3
InChIKeyBTNBYJUCHBUEOT-UHFFFAOYSA-N
XLogP3.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(4-methylphenyl)sulfanylmethanamine?
The IUPAC name of (4-fluorophenyl)-(4-methylphenyl)sulfanylmethanamine (CID 142465274) is (4-fluorophenyl)-(4-methylphenyl)sulfanylmethanamine.
What is the SMILES notation for (4-fluorophenyl)-(4-methylphenyl)sulfanylmethanamine?
The canonical SMILES for (4-fluorophenyl)-(4-methylphenyl)sulfanylmethanamine is Cc1ccc(SC(N)c2ccc(F)cc2)cc1.
What is the InChIKey of (4-fluorophenyl)-(4-methylphenyl)sulfanylmethanamine?
The InChIKey is BTNBYJUCHBUEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNS/c1-10-2-8-13(9-3-10)17-14(16)11-4-6-12(15)7-5-11/h2-9,14H,16H2,1H3.
What are the key properties of (4-fluorophenyl)-(4-methylphenyl)sulfanylmethanamine?
(4-fluorophenyl)-(4-methylphenyl)sulfanylmethanamine has a molecular weight of 247.34 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(4-methylphenyl)sulfanylmethanamine is sourced from PubChem (CID 142465274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).