(2E)-N-ethenyl-2-ethylidene-1-benzothiophen-3-imine

C12H11NS — CID 166700830

IUPAC(2E)-N-ethenyl-2-ethylidene-1-benzothiophen-3-imine
SMILESC=C/N=C1C(=C\C)/Sc2ccccc2/1
InChIInChI=1S/C12H11NS/c1-3-10-12(13-4-2)9-7-5-6-8-11(9)14-10/h3-8H,2H2,1H3/b10-3+,13-12+
InChIKeyZJTJDMBJHUXPOA-XFCVECNKSA-N
MW201.29 g/mol
LogP3.63
Rot. Bonds1

About (2E)-N-ethenyl-2-ethylidene-1-benzothiophen-3-imine

(2E)-N-ethenyl-2-ethylidene-1-benzothiophen-3-imine (PubChem CID 166700830) has the molecular formula C12H11NS and a molecular weight of 201.29 g/mol. Its IUPAC name is (2E)-N-ethenyl-2-ethylidene-1-benzothiophen-3-imine.

Molecular Properties

Compound Name(2E)-N-ethenyl-2-ethylidene-1-benzothiophen-3-imine
PubChem CID166700830
Molecular FormulaC12H11NS
Molecular Weight201.29 g/mol
Exact Mass201.06
IUPAC Name(2E)-N-ethenyl-2-ethylidene-1-benzothiophen-3-imine
SMILESC=C/N=C1C(=C\C)/Sc2ccccc2/1
InChIInChI=1S/C12H11NS/c1-3-10-12(13-4-2)9-7-5-6-8-11(9)14-10/h3-8H,2H2,1H3/b10-3+,13-12+
InChIKeyZJTJDMBJHUXPOA-XFCVECNKSA-N
XLogP3.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Ethylsulfanylphenyl)-5-(trifluoromethyl)-3,4-dihydropyridine
CID 137396626
2-(N,N-dimethylaminomethylene)-3 (2h)-benzothiophenethione
CID 129787625
2h-Benzothienopyrrole
CID 129879882
11b-chloro-11aH-[1]benzothiolo[3,2-c]isoquinoline
CID 162410994
Spiro[benzo[b]thiophene-3,3'-pyrrole]
CID 171383568
10a-Methyl-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-b]indole
CID 11511131
3-Methylspiro[[1]benzothiolo[3,2-b]pyrrole-2,1'-cyclopentane]
CID 11547303
2,2,3-Trimethyl-[1]benzothiolo[3,2-b]pyrrole
CID 11644196
2,3,5-Trimethyl-2,3-dihydro-1,4-benzothiazepine
CID 20072292
5-Methyl-2,3-dihydro-1,4-benzothiazepine
CID 20072297
5-Phenyl-1,4-benzothiazepine
CID 53723500
4-(2-methylsulfanylphenyl)-3H-pyrrole
CID 58294126

Frequently Asked Questions

What is the IUPAC name of (2E)-N-ethenyl-2-ethylidene-1-benzothiophen-3-imine?
The IUPAC name of (2E)-N-ethenyl-2-ethylidene-1-benzothiophen-3-imine (CID 166700830) is (2E)-N-ethenyl-2-ethylidene-1-benzothiophen-3-imine.
What is the SMILES notation for (2E)-N-ethenyl-2-ethylidene-1-benzothiophen-3-imine?
The canonical SMILES for (2E)-N-ethenyl-2-ethylidene-1-benzothiophen-3-imine is C=C/N=C1C(=C\C)/Sc2ccccc2/1.
What is the InChIKey of (2E)-N-ethenyl-2-ethylidene-1-benzothiophen-3-imine?
The InChIKey is ZJTJDMBJHUXPOA-XFCVECNKSA-N. The full InChI is InChI=1S/C12H11NS/c1-3-10-12(13-4-2)9-7-5-6-8-11(9)14-10/h3-8H,2H2,1H3/b10-3+,13-12+.
What are the key properties of (2E)-N-ethenyl-2-ethylidene-1-benzothiophen-3-imine?
(2E)-N-ethenyl-2-ethylidene-1-benzothiophen-3-imine has a molecular weight of 201.29 g/mol, XLogP of 3.63, 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-ethylidene-1-benzothiophen-3-imine is sourced from PubChem (CID 166700830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).