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

C8H9NS — CID 166817990

IUPAC(3Z)-N-ethenyl-3-ethylidenethiophen-2-imine
SMILESC=C/N=C1\SC=C\C1=C\C
InChIInChI=1S/C8H9NS/c1-3-7-5-6-10-8(7)9-4-2/h3-6H,2H2,1H3/b7-3-,9-8-
InChIKeyFRJICAPBHXGVEM-ASDLVFQBSA-N
MW151.23 g/mol
LogP2.74
Rot. Bonds1

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

(3Z)-N-ethenyl-3-ethylidenethiophen-2-imine (PubChem CID 166817990) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is (3Z)-N-ethenyl-3-ethylidenethiophen-2-imine.

Molecular Properties

Compound Name(3Z)-N-ethenyl-3-ethylidenethiophen-2-imine
PubChem CID166817990
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC Name(3Z)-N-ethenyl-3-ethylidenethiophen-2-imine
SMILESC=C/N=C1\SC=C\C1=C\C
InChIInChI=1S/C8H9NS/c1-3-7-5-6-10-8(7)9-4-2/h3-6H,2H2,1H3/b7-3-,9-8-
InChIKeyFRJICAPBHXGVEM-ASDLVFQBSA-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': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N-ethenyl-3-ethylidenethiophen-2-imine?
The IUPAC name of (3Z)-N-ethenyl-3-ethylidenethiophen-2-imine (CID 166817990) is (3Z)-N-ethenyl-3-ethylidenethiophen-2-imine.
What is the SMILES notation for (3Z)-N-ethenyl-3-ethylidenethiophen-2-imine?
The canonical SMILES for (3Z)-N-ethenyl-3-ethylidenethiophen-2-imine is C=C/N=C1\SC=C\C1=C\C.
What is the InChIKey of (3Z)-N-ethenyl-3-ethylidenethiophen-2-imine?
The InChIKey is FRJICAPBHXGVEM-ASDLVFQBSA-N. The full InChI is InChI=1S/C8H9NS/c1-3-7-5-6-10-8(7)9-4-2/h3-6H,2H2,1H3/b7-3-,9-8-.
What are the key properties of (3Z)-N-ethenyl-3-ethylidenethiophen-2-imine?
(3Z)-N-ethenyl-3-ethylidenethiophen-2-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 (3Z)-N-ethenyl-3-ethylidenethiophen-2-imine is sourced from PubChem (CID 166817990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).