ethane;2-methyl-4-thiophen-2-ylaniline

C13H17NS — CID 143928116

IUPACethane;2-methyl-4-thiophen-2-ylaniline
SMILESCC.Cc1cc(-c2cccs2)ccc1N
InChIInChI=1S/C11H11NS.C2H6/c1-8-7-9(4-5-10(8)12)11-3-2-6-13-11;1-2/h2-7H,12H2,1H3;1-2H3
InChIKeyYQKNFZPTDRKDRP-UHFFFAOYSA-N
MW219.35 g/mol
LogP4.33
Rot. Bonds1

About ethane;2-methyl-4-thiophen-2-ylaniline

ethane;2-methyl-4-thiophen-2-ylaniline (PubChem CID 143928116) has the molecular formula C13H17NS and a molecular weight of 219.35 g/mol. Its IUPAC name is ethane;2-methyl-4-thiophen-2-ylaniline.

Molecular Properties

Compound Nameethane;2-methyl-4-thiophen-2-ylaniline
PubChem CID143928116
Molecular FormulaC13H17NS
Molecular Weight219.35 g/mol
Exact Mass219.11
IUPAC Nameethane;2-methyl-4-thiophen-2-ylaniline
SMILESCC.Cc1cc(-c2cccs2)ccc1N
InChIInChI=1S/C11H11NS.C2H6/c1-8-7-9(4-5-10(8)12)11-3-2-6-13-11;1-2/h2-7H,12H2,1H3;1-2H3
InChIKeyYQKNFZPTDRKDRP-UHFFFAOYSA-N
XLogP4.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 54.33
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 ethane;2-methyl-4-thiophen-2-ylaniline?
The IUPAC name of ethane;2-methyl-4-thiophen-2-ylaniline (CID 143928116) is ethane;2-methyl-4-thiophen-2-ylaniline.
What is the SMILES notation for ethane;2-methyl-4-thiophen-2-ylaniline?
The canonical SMILES for ethane;2-methyl-4-thiophen-2-ylaniline is CC.Cc1cc(-c2cccs2)ccc1N.
What is the InChIKey of ethane;2-methyl-4-thiophen-2-ylaniline?
The InChIKey is YQKNFZPTDRKDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS.C2H6/c1-8-7-9(4-5-10(8)12)11-3-2-6-13-11;1-2/h2-7H,12H2,1H3;1-2H3.
What are the key properties of ethane;2-methyl-4-thiophen-2-ylaniline?
ethane;2-methyl-4-thiophen-2-ylaniline has a molecular weight of 219.35 g/mol, XLogP of 4.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-4-thiophen-2-ylaniline is sourced from PubChem (CID 143928116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).