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

C13H19NS — CID 143928123

IUPACethane;2-methyl-4-thiophen-2-ylaniline;molecular hydrogen
SMILESCC.Cc1cc(-c2cccs2)ccc1N.[H][H]
InChIInChI=1S/C11H11NS.C2H6.H2/c1-8-7-9(4-5-10(8)12)11-3-2-6-13-11;1-2;/h2-7H,12H2,1H3;1-2H3;1H
InChIKeyFGEOSKIJZIWWRD-UHFFFAOYSA-N
MW221.37 g/mol
LogP4.58
Rot. Bonds1

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

ethane;2-methyl-4-thiophen-2-ylaniline;molecular hydrogen (PubChem CID 143928123) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is ethane;2-methyl-4-thiophen-2-ylaniline;molecular hydrogen.

Molecular Properties

Compound Nameethane;2-methyl-4-thiophen-2-ylaniline;molecular hydrogen
PubChem CID143928123
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Nameethane;2-methyl-4-thiophen-2-ylaniline;molecular hydrogen
SMILESCC.Cc1cc(-c2cccs2)ccc1N.[H][H]
InChIInChI=1S/C11H11NS.C2H6.H2/c1-8-7-9(4-5-10(8)12)11-3-2-6-13-11;1-2;/h2-7H,12H2,1H3;1-2H3;1H
InChIKeyFGEOSKIJZIWWRD-UHFFFAOYSA-N
XLogP4.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 54.58
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;molecular hydrogen?
The IUPAC name of ethane;2-methyl-4-thiophen-2-ylaniline;molecular hydrogen (CID 143928123) is ethane;2-methyl-4-thiophen-2-ylaniline;molecular hydrogen.
What is the SMILES notation for ethane;2-methyl-4-thiophen-2-ylaniline;molecular hydrogen?
The canonical SMILES for ethane;2-methyl-4-thiophen-2-ylaniline;molecular hydrogen is CC.Cc1cc(-c2cccs2)ccc1N.[H][H].
What is the InChIKey of ethane;2-methyl-4-thiophen-2-ylaniline;molecular hydrogen?
The InChIKey is FGEOSKIJZIWWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS.C2H6.H2/c1-8-7-9(4-5-10(8)12)11-3-2-6-13-11;1-2;/h2-7H,12H2,1H3;1-2H3;1H.
What are the key properties of ethane;2-methyl-4-thiophen-2-ylaniline;molecular hydrogen?
ethane;2-methyl-4-thiophen-2-ylaniline;molecular hydrogen has a molecular weight of 221.37 g/mol, XLogP of 4.58, 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;molecular hydrogen is sourced from PubChem (CID 143928123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).