4-thiophen-3-ylaniline

C10H9NS — CID 4130336

IUPAC4-thiophen-3-ylaniline
SMILESNc1ccc(-c2ccsc2)cc1
InChIInChI=1S/C10H9NS/c11-10-3-1-8(2-4-10)9-5-6-12-7-9/h1-7H,11H2
InChIKeyGYPDHLDQINBFPY-UHFFFAOYSA-N
MW175.26 g/mol
LogP3.00
Rot. Bonds1

About 4-thiophen-3-ylaniline

4-thiophen-3-ylaniline (PubChem CID 4130336) has the molecular formula C10H9NS and a molecular weight of 175.26 g/mol. Its IUPAC name is 4-thiophen-3-ylaniline.

Molecular Properties

Compound Name4-thiophen-3-ylaniline
PubChem CID4130336
Molecular FormulaC10H9NS
Molecular Weight175.26 g/mol
Exact Mass175.05
IUPAC Name4-thiophen-3-ylaniline
SMILESNc1ccc(-c2ccsc2)cc1
InChIInChI=1S/C10H9NS/c11-10-3-1-8(2-4-10)9-5-6-12-7-9/h1-7H,11H2
InChIKeyGYPDHLDQINBFPY-UHFFFAOYSA-N
XLogP3.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.26
LogP ≤ 53.00
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-thiophen-3-ylaniline?
The IUPAC name of 4-thiophen-3-ylaniline (CID 4130336) is 4-thiophen-3-ylaniline.
What is the SMILES notation for 4-thiophen-3-ylaniline?
The canonical SMILES for 4-thiophen-3-ylaniline is Nc1ccc(-c2ccsc2)cc1.
What is the InChIKey of 4-thiophen-3-ylaniline?
The InChIKey is GYPDHLDQINBFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS/c11-10-3-1-8(2-4-10)9-5-6-12-7-9/h1-7H,11H2.
What are the key properties of 4-thiophen-3-ylaniline?
4-thiophen-3-ylaniline has a molecular weight of 175.26 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-3-ylaniline is sourced from PubChem (CID 4130336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).