N-(2-ethylthiophen-3-yl)ethanimine

C8H11NS — CID 138720721

IUPACN-(2-ethylthiophen-3-yl)ethanimine
SMILESC/C=N/c1ccsc1CC
InChIInChI=1S/C8H11NS/c1-3-8-7(9-4-2)5-6-10-8/h4-6H,3H2,1-2H3/b9-4+
InChIKeyGOUFYTOQQAXOEF-RUDMXATFSA-N
MW153.25 g/mol
LogP3.03
Rot. Bonds2

About N-(2-ethylthiophen-3-yl)ethanimine

N-(2-ethylthiophen-3-yl)ethanimine (PubChem CID 138720721) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is N-(2-ethylthiophen-3-yl)ethanimine.

Molecular Properties

Compound NameN-(2-ethylthiophen-3-yl)ethanimine
PubChem CID138720721
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC NameN-(2-ethylthiophen-3-yl)ethanimine
SMILESC/C=N/c1ccsc1CC
InChIInChI=1S/C8H11NS/c1-3-8-7(9-4-2)5-6-10-8/h4-6H,3H2,1-2H3/b9-4+
InChIKeyGOUFYTOQQAXOEF-RUDMXATFSA-N
XLogP3.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylthiophen-3-yl)ethanimine?
The IUPAC name of N-(2-ethylthiophen-3-yl)ethanimine (CID 138720721) is N-(2-ethylthiophen-3-yl)ethanimine.
What is the SMILES notation for N-(2-ethylthiophen-3-yl)ethanimine?
The canonical SMILES for N-(2-ethylthiophen-3-yl)ethanimine is C/C=N/c1ccsc1CC.
What is the InChIKey of N-(2-ethylthiophen-3-yl)ethanimine?
The InChIKey is GOUFYTOQQAXOEF-RUDMXATFSA-N. The full InChI is InChI=1S/C8H11NS/c1-3-8-7(9-4-2)5-6-10-8/h4-6H,3H2,1-2H3/b9-4+.
What are the key properties of N-(2-ethylthiophen-3-yl)ethanimine?
N-(2-ethylthiophen-3-yl)ethanimine has a molecular weight of 153.25 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylthiophen-3-yl)ethanimine is sourced from PubChem (CID 138720721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).