(2E)-N-ethenyl-2-ethylidenethiophen-3-imine

C8H9NS — CID 178004057

IUPAC(2E)-N-ethenyl-2-ethylidenethiophen-3-imine
SMILESC=C/N=C1\C=CS\C1=C\C
InChIInChI=1S/C8H9NS/c1-3-8-7(9-4-2)5-6-10-8/h3-6H,2H2,1H3/b8-3+,9-7+
InChIKeyYMSVJRQJLYBUKY-DRXFMOQXSA-N
MW151.23 g/mol
LogP2.74
Rot. Bonds1

About (2E)-N-ethenyl-2-ethylidenethiophen-3-imine

(2E)-N-ethenyl-2-ethylidenethiophen-3-imine (PubChem CID 178004057) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is (2E)-N-ethenyl-2-ethylidenethiophen-3-imine.

Molecular Properties

Compound Name(2E)-N-ethenyl-2-ethylidenethiophen-3-imine
PubChem CID178004057
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC Name(2E)-N-ethenyl-2-ethylidenethiophen-3-imine
SMILESC=C/N=C1\C=CS\C1=C\C
InChIInChI=1S/C8H9NS/c1-3-8-7(9-4-2)5-6-10-8/h3-6H,2H2,1H3/b8-3+,9-7+
InChIKeyYMSVJRQJLYBUKY-DRXFMOQXSA-N
XLogP2.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 52.74
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 (2E)-N-ethenyl-2-ethylidenethiophen-3-imine?
The IUPAC name of (2E)-N-ethenyl-2-ethylidenethiophen-3-imine (CID 178004057) is (2E)-N-ethenyl-2-ethylidenethiophen-3-imine.
What is the SMILES notation for (2E)-N-ethenyl-2-ethylidenethiophen-3-imine?
The canonical SMILES for (2E)-N-ethenyl-2-ethylidenethiophen-3-imine is C=C/N=C1\C=CS\C1=C\C.
What is the InChIKey of (2E)-N-ethenyl-2-ethylidenethiophen-3-imine?
The InChIKey is YMSVJRQJLYBUKY-DRXFMOQXSA-N. The full InChI is InChI=1S/C8H9NS/c1-3-8-7(9-4-2)5-6-10-8/h3-6H,2H2,1H3/b8-3+,9-7+.
What are the key properties of (2E)-N-ethenyl-2-ethylidenethiophen-3-imine?
(2E)-N-ethenyl-2-ethylidenethiophen-3-imine has a molecular weight of 151.23 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-ethenyl-2-ethylidenethiophen-3-imine is sourced from PubChem (CID 178004057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).