2-(5-fluoro-2-thiophen-2-ylsulfanylphenyl)ethanamine

C12H12FNS2 — CID 63836009

IUPAC2-(5-fluoro-2-thiophen-2-ylsulfanylphenyl)ethanamine
SMILESNCCc1cc(F)ccc1Sc1cccs1
InChIInChI=1S/C12H12FNS2/c13-10-3-4-11(9(8-10)5-6-14)16-12-2-1-7-15-12/h1-4,7-8H,5-6,14H2
InChIKeyRMDPCTUEPDHYRX-UHFFFAOYSA-N
MW253.37 g/mol
LogP3.54
Rot. Bonds4

About 2-(5-fluoro-2-thiophen-2-ylsulfanylphenyl)ethanamine

2-(5-fluoro-2-thiophen-2-ylsulfanylphenyl)ethanamine (PubChem CID 63836009) has the molecular formula C12H12FNS2 and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(5-fluoro-2-thiophen-2-ylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name2-(5-fluoro-2-thiophen-2-ylsulfanylphenyl)ethanamine
PubChem CID63836009
Molecular FormulaC12H12FNS2
Molecular Weight253.37 g/mol
Exact Mass253.04
IUPAC Name2-(5-fluoro-2-thiophen-2-ylsulfanylphenyl)ethanamine
SMILESNCCc1cc(F)ccc1Sc1cccs1
InChIInChI=1S/C12H12FNS2/c13-10-3-4-11(9(8-10)5-6-14)16-12-2-1-7-15-12/h1-4,7-8H,5-6,14H2
InChIKeyRMDPCTUEPDHYRX-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-fluoro-2-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanamine
CID 63819371
[4-fluoro-2-(thiophen-2-ylsulfanylmethyl)phenyl]methanamine
CID 64763920
2-(2-chloro-6-thiophen-2-ylsulfanylphenyl)ethanamine
CID 63836065
1-(3-fluoro-4-thiophen-2-ylsulfanylphenyl)propan-2-amine
CID 63836234
2-[5-fluoro-2-(4-propan-2-ylphenyl)sulfanylphenyl]ethanamine
CID 63819955
2-[2-(1H-benzimidazol-2-ylsulfanyl)-5-fluorophenyl]ethanamine
CID 63818943
2-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluorophenyl]ethanamine
CID 63820160
2-[2-[(4-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanamine
CID 114792466
1-(3-fluoro-2-thiophen-2-ylsulfanylphenyl)propan-2-amine
CID 114070431
2-(2,4-dichlorophenyl)sulfanylthiophene
CID 175549844
N-[(3-fluoro-4-thiophen-2-ylsulfanylphenyl)methyl]ethanamine
CID 63804996
2-[2-[2-(2-aminoethyl)-4-chlorophenyl]sulfanyl-5-chlorophenyl]ethanamine
CID 67297854

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-thiophen-2-ylsulfanylphenyl)ethanamine?
The IUPAC name of 2-(5-fluoro-2-thiophen-2-ylsulfanylphenyl)ethanamine (CID 63836009) is 2-(5-fluoro-2-thiophen-2-ylsulfanylphenyl)ethanamine.
What is the SMILES notation for 2-(5-fluoro-2-thiophen-2-ylsulfanylphenyl)ethanamine?
The canonical SMILES for 2-(5-fluoro-2-thiophen-2-ylsulfanylphenyl)ethanamine is NCCc1cc(F)ccc1Sc1cccs1.
What is the InChIKey of 2-(5-fluoro-2-thiophen-2-ylsulfanylphenyl)ethanamine?
The InChIKey is RMDPCTUEPDHYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNS2/c13-10-3-4-11(9(8-10)5-6-14)16-12-2-1-7-15-12/h1-4,7-8H,5-6,14H2.
What are the key properties of 2-(5-fluoro-2-thiophen-2-ylsulfanylphenyl)ethanamine?
2-(5-fluoro-2-thiophen-2-ylsulfanylphenyl)ethanamine has a molecular weight of 253.37 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-thiophen-2-ylsulfanylphenyl)ethanamine is sourced from PubChem (CID 63836009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).