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

C12H13NS2 — CID 43200148

IUPAC1-(2-thiophen-2-ylsulfanylphenyl)ethanamine
SMILESCC(N)c1ccccc1Sc1cccs1
InChIInChI=1S/C12H13NS2/c1-9(13)10-5-2-3-6-11(10)15-12-7-4-8-14-12/h2-9H,13H2,1H3
InChIKeySPNZKOOOMKZSIC-UHFFFAOYSA-N
MW235.38 g/mol
LogP3.92
Rot. Bonds3

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

1-(2-thiophen-2-ylsulfanylphenyl)ethanamine (PubChem CID 43200148) has the molecular formula C12H13NS2 and a molecular weight of 235.38 g/mol. Its IUPAC name is 1-(2-thiophen-2-ylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-thiophen-2-ylsulfanylphenyl)ethanamine
PubChem CID43200148
Molecular FormulaC12H13NS2
Molecular Weight235.38 g/mol
Exact Mass235.05
IUPAC Name1-(2-thiophen-2-ylsulfanylphenyl)ethanamine
SMILESCC(N)c1ccccc1Sc1cccs1
InChIInChI=1S/C12H13NS2/c1-9(13)10-5-2-3-6-11(10)15-12-7-4-8-14-12/h2-9H,13H2,1H3
InChIKeySPNZKOOOMKZSIC-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1-(2-thiophen-2-ylsulfanylphenyl)ethanamine?
The IUPAC name of 1-(2-thiophen-2-ylsulfanylphenyl)ethanamine (CID 43200148) is 1-(2-thiophen-2-ylsulfanylphenyl)ethanamine.
What is the SMILES notation for 1-(2-thiophen-2-ylsulfanylphenyl)ethanamine?
The canonical SMILES for 1-(2-thiophen-2-ylsulfanylphenyl)ethanamine is CC(N)c1ccccc1Sc1cccs1.
What is the InChIKey of 1-(2-thiophen-2-ylsulfanylphenyl)ethanamine?
The InChIKey is SPNZKOOOMKZSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS2/c1-9(13)10-5-2-3-6-11(10)15-12-7-4-8-14-12/h2-9H,13H2,1H3.
What are the key properties of 1-(2-thiophen-2-ylsulfanylphenyl)ethanamine?
1-(2-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 1-(2-thiophen-2-ylsulfanylphenyl)ethanamine is sourced from PubChem (CID 43200148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).