4-chloro-3-thiophen-2-ylaniline

C10H8ClNS — CID 61317798

IUPAC4-chloro-3-thiophen-2-ylaniline
SMILESNc1ccc(Cl)c(-c2cccs2)c1
InChIInChI=1S/C10H8ClNS/c11-9-4-3-7(12)6-8(9)10-2-1-5-13-10/h1-6H,12H2
InChIKeyQNMHPFMYSGGYRT-UHFFFAOYSA-N
MW209.70 g/mol
LogP3.65
Rot. Bonds1

About 4-chloro-3-thiophen-2-ylaniline

4-chloro-3-thiophen-2-ylaniline (PubChem CID 61317798) has the molecular formula C10H8ClNS and a molecular weight of 209.70 g/mol. Its IUPAC name is 4-chloro-3-thiophen-2-ylaniline.

Molecular Properties

Compound Name4-chloro-3-thiophen-2-ylaniline
PubChem CID61317798
Molecular FormulaC10H8ClNS
Molecular Weight209.70 g/mol
Exact Mass209.01
IUPAC Name4-chloro-3-thiophen-2-ylaniline
SMILESNc1ccc(Cl)c(-c2cccs2)c1
InChIInChI=1S/C10H8ClNS/c11-9-4-3-7(12)6-8(9)10-2-1-5-13-10/h1-6H,12H2
InChIKeyQNMHPFMYSGGYRT-UHFFFAOYSA-N
XLogP3.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.70
LogP ≤ 53.65
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 4-chloro-3-thiophen-2-ylaniline?
The IUPAC name of 4-chloro-3-thiophen-2-ylaniline (CID 61317798) is 4-chloro-3-thiophen-2-ylaniline.
What is the SMILES notation for 4-chloro-3-thiophen-2-ylaniline?
The canonical SMILES for 4-chloro-3-thiophen-2-ylaniline is Nc1ccc(Cl)c(-c2cccs2)c1.
What is the InChIKey of 4-chloro-3-thiophen-2-ylaniline?
The InChIKey is QNMHPFMYSGGYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNS/c11-9-4-3-7(12)6-8(9)10-2-1-5-13-10/h1-6H,12H2.
What are the key properties of 4-chloro-3-thiophen-2-ylaniline?
4-chloro-3-thiophen-2-ylaniline has a molecular weight of 209.70 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-thiophen-2-ylaniline is sourced from PubChem (CID 61317798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).