[4-fluoro-2-(thiophen-2-ylsulfanylmethyl)phenyl]methanamine

C12H12FNS2 — CID 64763920

IUPAC[4-fluoro-2-(thiophen-2-ylsulfanylmethyl)phenyl]methanamine
SMILESNCc1ccc(F)cc1CSc1cccs1
InChIInChI=1S/C12H12FNS2/c13-11-4-3-9(7-14)10(6-11)8-16-12-2-1-5-15-12/h1-6H,7-8,14H2
InChIKeyQELMAKRIWUCPDA-UHFFFAOYSA-N
MW253.37 g/mol
LogP3.64
Rot. Bonds4

About [4-fluoro-2-(thiophen-2-ylsulfanylmethyl)phenyl]methanamine

[4-fluoro-2-(thiophen-2-ylsulfanylmethyl)phenyl]methanamine (PubChem CID 64763920) has the molecular formula C12H12FNS2 and a molecular weight of 253.37 g/mol. Its IUPAC name is [4-fluoro-2-(thiophen-2-ylsulfanylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-2-(thiophen-2-ylsulfanylmethyl)phenyl]methanamine
PubChem CID64763920
Molecular FormulaC12H12FNS2
Molecular Weight253.37 g/mol
Exact Mass253.04
IUPAC Name[4-fluoro-2-(thiophen-2-ylsulfanylmethyl)phenyl]methanamine
SMILESNCc1ccc(F)cc1CSc1cccs1
InChIInChI=1S/C12H12FNS2/c13-11-4-3-9(7-14)10(6-11)8-16-12-2-1-5-15-12/h1-6H,7-8,14H2
InChIKeyQELMAKRIWUCPDA-UHFFFAOYSA-N
XLogP3.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-(thiophen-2-ylsulfanylmethyl)phenyl]methanamine?
The IUPAC name of [4-fluoro-2-(thiophen-2-ylsulfanylmethyl)phenyl]methanamine (CID 64763920) is [4-fluoro-2-(thiophen-2-ylsulfanylmethyl)phenyl]methanamine.
What is the SMILES notation for [4-fluoro-2-(thiophen-2-ylsulfanylmethyl)phenyl]methanamine?
The canonical SMILES for [4-fluoro-2-(thiophen-2-ylsulfanylmethyl)phenyl]methanamine is NCc1ccc(F)cc1CSc1cccs1.
What is the InChIKey of [4-fluoro-2-(thiophen-2-ylsulfanylmethyl)phenyl]methanamine?
The InChIKey is QELMAKRIWUCPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNS2/c13-11-4-3-9(7-14)10(6-11)8-16-12-2-1-5-15-12/h1-6H,7-8,14H2.
What are the key properties of [4-fluoro-2-(thiophen-2-ylsulfanylmethyl)phenyl]methanamine?
[4-fluoro-2-(thiophen-2-ylsulfanylmethyl)phenyl]methanamine has a molecular weight of 253.37 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-(thiophen-2-ylsulfanylmethyl)phenyl]methanamine is sourced from PubChem (CID 64763920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).