(1S)-1-(4-thiophen-2-ylsulfanylphenyl)ethanamine

C12H13NS2 — CID 28602971

IUPAC(1S)-1-(4-thiophen-2-ylsulfanylphenyl)ethanamine
SMILESC[C@H](N)c1ccc(Sc2cccs2)cc1
InChIInChI=1S/C12H13NS2/c1-9(13)10-4-6-11(7-5-10)15-12-3-2-8-14-12/h2-9H,13H2,1H3/t9-/m0/s1
InChIKeyJBJQUDJICTYNBI-VIFPVBQESA-N
MW235.38 g/mol
LogP3.92
Rot. Bonds3

About (1S)-1-(4-thiophen-2-ylsulfanylphenyl)ethanamine

(1S)-1-(4-thiophen-2-ylsulfanylphenyl)ethanamine (PubChem CID 28602971) has the molecular formula C12H13NS2 and a molecular weight of 235.38 g/mol. Its IUPAC name is (1S)-1-(4-thiophen-2-ylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-thiophen-2-ylsulfanylphenyl)ethanamine
PubChem CID28602971
Molecular FormulaC12H13NS2
Molecular Weight235.38 g/mol
Exact Mass235.05
IUPAC Name(1S)-1-(4-thiophen-2-ylsulfanylphenyl)ethanamine
SMILESC[C@H](N)c1ccc(Sc2cccs2)cc1
InChIInChI=1S/C12H13NS2/c1-9(13)10-4-6-11(7-5-10)15-12-3-2-8-14-12/h2-9H,13H2,1H3/t9-/m0/s1
InChIKeyJBJQUDJICTYNBI-VIFPVBQESA-N
XLogP3.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(4-thiophen-2-ylsulfanylphenyl)ethanamine
CID 43286479
1-(2-thiophen-2-ylsulfanylphenyl)ethanamine
CID 43200148
N-[1-(4-thiophen-2-ylsulfanylphenyl)ethyl]propan-1-amine
CID 43286478
2-(4-propylphenyl)sulfanylthiophene
CID 67533746
1-(4-fluorophenyl)-1-thiophen-2-ylsulfanylpropan-2-amine
CID 55015226
2-(4-nitrophenyl)sulfanylthiophene
CID 51063980
(1S)-1-(4-methylsulfanylphenyl)ethanamine;hydrochloride
CID 53484788
3-methyl-5-thiophen-2-ylsulfanylaniline
CID 112648742
1-(3-fluoro-2-thiophen-2-ylsulfanylphenyl)propan-2-amine
CID 114070431
(1R)-1-[4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanamine
CID 78939076
1-(3-bromophenyl)-1-thiophen-2-ylsulfanylpropan-2-amine
CID 55018154
1-(2-amino-4-thiophen-2-ylsulfanylphenyl)ethanone
CID 104529425

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-thiophen-2-ylsulfanylphenyl)ethanamine?
The IUPAC name of (1S)-1-(4-thiophen-2-ylsulfanylphenyl)ethanamine (CID 28602971) is (1S)-1-(4-thiophen-2-ylsulfanylphenyl)ethanamine.
What is the SMILES notation for (1S)-1-(4-thiophen-2-ylsulfanylphenyl)ethanamine?
The canonical SMILES for (1S)-1-(4-thiophen-2-ylsulfanylphenyl)ethanamine is C[C@H](N)c1ccc(Sc2cccs2)cc1.
What is the InChIKey of (1S)-1-(4-thiophen-2-ylsulfanylphenyl)ethanamine?
The InChIKey is JBJQUDJICTYNBI-VIFPVBQESA-N. The full InChI is InChI=1S/C12H13NS2/c1-9(13)10-4-6-11(7-5-10)15-12-3-2-8-14-12/h2-9H,13H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-(4-thiophen-2-ylsulfanylphenyl)ethanamine?
(1S)-1-(4-thiophen-2-ylsulfanylphenyl)ethanamine has a molecular weight of 235.38 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-thiophen-2-ylsulfanylphenyl)ethanamine is sourced from PubChem (CID 28602971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).