2-(2,5-dihydrothiophen-3-yl)aniline

C10H11NS — CID 105437216

IUPAC2-(2,5-dihydrothiophen-3-yl)aniline
SMILESNc1ccccc1C1=CCSC1
InChIInChI=1S/C10H11NS/c11-10-4-2-1-3-9(10)8-5-6-12-7-8/h1-5H,6-7,11H2
InChIKeyKSJLFSFNXWRFOH-UHFFFAOYSA-N
MW177.27 g/mol
LogP2.40
Rot. Bonds1

About 2-(2,5-dihydrothiophen-3-yl)aniline

2-(2,5-dihydrothiophen-3-yl)aniline (PubChem CID 105437216) has the molecular formula C10H11NS and a molecular weight of 177.27 g/mol. Its IUPAC name is 2-(2,5-dihydrothiophen-3-yl)aniline.

Molecular Properties

Compound Name2-(2,5-dihydrothiophen-3-yl)aniline
PubChem CID105437216
Molecular FormulaC10H11NS
Molecular Weight177.27 g/mol
Exact Mass177.06
IUPAC Name2-(2,5-dihydrothiophen-3-yl)aniline
SMILESNc1ccccc1C1=CCSC1
InChIInChI=1S/C10H11NS/c11-10-4-2-1-3-9(10)8-5-6-12-7-8/h1-5H,6-7,11H2
InChIKeyKSJLFSFNXWRFOH-UHFFFAOYSA-N
XLogP2.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 52.40
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-(2,5-dihydrothiophen-3-yl)aniline?
The IUPAC name of 2-(2,5-dihydrothiophen-3-yl)aniline (CID 105437216) is 2-(2,5-dihydrothiophen-3-yl)aniline.
What is the SMILES notation for 2-(2,5-dihydrothiophen-3-yl)aniline?
The canonical SMILES for 2-(2,5-dihydrothiophen-3-yl)aniline is Nc1ccccc1C1=CCSC1.
What is the InChIKey of 2-(2,5-dihydrothiophen-3-yl)aniline?
The InChIKey is KSJLFSFNXWRFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS/c11-10-4-2-1-3-9(10)8-5-6-12-7-8/h1-5H,6-7,11H2.
What are the key properties of 2-(2,5-dihydrothiophen-3-yl)aniline?
2-(2,5-dihydrothiophen-3-yl)aniline has a molecular weight of 177.27 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydrothiophen-3-yl)aniline is sourced from PubChem (CID 105437216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).