2-thiophen-2-ylaniline;hydrochloride

C10H10ClNS — CID 17482915

IUPAC2-thiophen-2-ylaniline;hydrochloride
SMILESCl.Nc1ccccc1-c1cccs1
InChIInChI=1S/C10H9NS.ClH/c11-9-5-2-1-4-8(9)10-6-3-7-12-10;/h1-7H,11H2;1H
InChIKeyWDJVKCOXPQGNOZ-UHFFFAOYSA-N
MW211.72 g/mol
LogP3.42
Rot. Bonds1

About 2-thiophen-2-ylaniline;hydrochloride

2-thiophen-2-ylaniline;hydrochloride (PubChem CID 17482915) has the molecular formula C10H10ClNS and a molecular weight of 211.72 g/mol. Its IUPAC name is 2-thiophen-2-ylaniline;hydrochloride.

Molecular Properties

Compound Name2-thiophen-2-ylaniline;hydrochloride
PubChem CID17482915
Molecular FormulaC10H10ClNS
Molecular Weight211.72 g/mol
Exact Mass211.02
IUPAC Name2-thiophen-2-ylaniline;hydrochloride
SMILESCl.Nc1ccccc1-c1cccs1
InChIInChI=1S/C10H9NS.ClH/c11-9-5-2-1-4-8(9)10-6-3-7-12-10;/h1-7H,11H2;1H
InChIKeyWDJVKCOXPQGNOZ-UHFFFAOYSA-N
XLogP3.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.72
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylaniline;hydrochloride?
The IUPAC name of 2-thiophen-2-ylaniline;hydrochloride (CID 17482915) is 2-thiophen-2-ylaniline;hydrochloride.
What is the SMILES notation for 2-thiophen-2-ylaniline;hydrochloride?
The canonical SMILES for 2-thiophen-2-ylaniline;hydrochloride is Cl.Nc1ccccc1-c1cccs1.
What is the InChIKey of 2-thiophen-2-ylaniline;hydrochloride?
The InChIKey is WDJVKCOXPQGNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS.ClH/c11-9-5-2-1-4-8(9)10-6-3-7-12-10;/h1-7H,11H2;1H.
What are the key properties of 2-thiophen-2-ylaniline;hydrochloride?
2-thiophen-2-ylaniline;hydrochloride has a molecular weight of 211.72 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylaniline;hydrochloride is sourced from PubChem (CID 17482915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).