3-thiophen-3-ylaniline

C10H9NS — CID 4130337

IUPAC3-thiophen-3-ylaniline
SMILESNc1cccc(-c2ccsc2)c1
InChIInChI=1S/C10H9NS/c11-10-3-1-2-8(6-10)9-4-5-12-7-9/h1-7H,11H2
InChIKeySHUODWYRFVFGOA-UHFFFAOYSA-N
MW175.26 g/mol
LogP3.00
Rot. Bonds1

About 3-thiophen-3-ylaniline

3-thiophen-3-ylaniline (PubChem CID 4130337) has the molecular formula C10H9NS and a molecular weight of 175.26 g/mol. Its IUPAC name is 3-thiophen-3-ylaniline.

Molecular Properties

Compound Name3-thiophen-3-ylaniline
PubChem CID4130337
Molecular FormulaC10H9NS
Molecular Weight175.26 g/mol
Exact Mass175.05
IUPAC Name3-thiophen-3-ylaniline
SMILESNc1cccc(-c2ccsc2)c1
InChIInChI=1S/C10H9NS/c11-10-3-1-2-8(6-10)9-4-5-12-7-9/h1-7H,11H2
InChIKeySHUODWYRFVFGOA-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 3-thiophen-3-ylaniline?
The IUPAC name of 3-thiophen-3-ylaniline (CID 4130337) is 3-thiophen-3-ylaniline.
What is the SMILES notation for 3-thiophen-3-ylaniline?
The canonical SMILES for 3-thiophen-3-ylaniline is Nc1cccc(-c2ccsc2)c1.
What is the InChIKey of 3-thiophen-3-ylaniline?
The InChIKey is SHUODWYRFVFGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS/c11-10-3-1-2-8(6-10)9-4-5-12-7-9/h1-7H,11H2.
What are the key properties of 3-thiophen-3-ylaniline?
3-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 3-thiophen-3-ylaniline is sourced from PubChem (CID 4130337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).