2-(2-chloro-6-thiophen-2-ylsulfanylphenyl)ethanamine

C12H12ClNS2 — CID 63836065

IUPAC2-(2-chloro-6-thiophen-2-ylsulfanylphenyl)ethanamine
SMILESNCCc1c(Cl)cccc1Sc1cccs1
InChIInChI=1S/C12H12ClNS2/c13-10-3-1-4-11(9(10)6-7-14)16-12-5-2-8-15-12/h1-5,8H,6-7,14H2
InChIKeyJXQHXHTUKKUULD-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.05
Rot. Bonds4

About 2-(2-chloro-6-thiophen-2-ylsulfanylphenyl)ethanamine

2-(2-chloro-6-thiophen-2-ylsulfanylphenyl)ethanamine (PubChem CID 63836065) has the molecular formula C12H12ClNS2 and a molecular weight of 269.82 g/mol. Its IUPAC name is 2-(2-chloro-6-thiophen-2-ylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-thiophen-2-ylsulfanylphenyl)ethanamine
PubChem CID63836065
Molecular FormulaC12H12ClNS2
Molecular Weight269.82 g/mol
Exact Mass269.01
IUPAC Name2-(2-chloro-6-thiophen-2-ylsulfanylphenyl)ethanamine
SMILESNCCc1c(Cl)cccc1Sc1cccs1
InChIInChI=1S/C12H12ClNS2/c13-10-3-1-4-11(9(10)6-7-14)16-12-5-2-8-15-12/h1-5,8H,6-7,14H2
InChIKeyJXQHXHTUKKUULD-UHFFFAOYSA-N
XLogP4.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-thiophen-2-ylsulfanylphenyl)ethanamine?
The IUPAC name of 2-(2-chloro-6-thiophen-2-ylsulfanylphenyl)ethanamine (CID 63836065) is 2-(2-chloro-6-thiophen-2-ylsulfanylphenyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-6-thiophen-2-ylsulfanylphenyl)ethanamine?
The canonical SMILES for 2-(2-chloro-6-thiophen-2-ylsulfanylphenyl)ethanamine is NCCc1c(Cl)cccc1Sc1cccs1.
What is the InChIKey of 2-(2-chloro-6-thiophen-2-ylsulfanylphenyl)ethanamine?
The InChIKey is JXQHXHTUKKUULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNS2/c13-10-3-1-4-11(9(10)6-7-14)16-12-5-2-8-15-12/h1-5,8H,6-7,14H2.
What are the key properties of 2-(2-chloro-6-thiophen-2-ylsulfanylphenyl)ethanamine?
2-(2-chloro-6-thiophen-2-ylsulfanylphenyl)ethanamine has a molecular weight of 269.82 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-thiophen-2-ylsulfanylphenyl)ethanamine is sourced from PubChem (CID 63836065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).