(3Z)-3-ethylidene-N,4,5-trimethylthiophen-2-imine

C9H13NS — CID 143718093

IUPAC(3Z)-3-ethylidene-N,4,5-trimethylthiophen-2-imine
SMILESC/C=C1/C(C)=C(C)S/C1=N\C
InChIInChI=1S/C9H13NS/c1-5-8-6(2)7(3)11-9(8)10-4/h5H,1-4H3/b8-5-,10-9-
InChIKeyIJXLPMOGGBYFGU-IVXNCWGASA-N
MW167.28 g/mol
LogP3.00
Rot. Bonds

About (3Z)-3-ethylidene-N,4,5-trimethylthiophen-2-imine

(3Z)-3-ethylidene-N,4,5-trimethylthiophen-2-imine (PubChem CID 143718093) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is (3Z)-3-ethylidene-N,4,5-trimethylthiophen-2-imine.

Molecular Properties

Compound Name(3Z)-3-ethylidene-N,4,5-trimethylthiophen-2-imine
PubChem CID143718093
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name(3Z)-3-ethylidene-N,4,5-trimethylthiophen-2-imine
SMILESC/C=C1/C(C)=C(C)S/C1=N\C
InChIInChI=1S/C9H13NS/c1-5-8-6(2)7(3)11-9(8)10-4/h5H,1-4H3/b8-5-,10-9-
InChIKeyIJXLPMOGGBYFGU-IVXNCWGASA-N
XLogP3.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 53.00
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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Related Compounds

2-phenyl-5-propan-2-yl-4H-1,3-thiazol-4-ide;bis(yttrium)
CID 59400358
2-[(2Z,4Z)-3-methylhepta-2,4,6-trienyl]-4,5-dihydro-1,3-thiazole
CID 88860328
2-Pent-2-en-2-yl-4,5-dihydro-1,3-thiazole
CID 91379774
N-methyl-3-(2-methylidenebutylidene)thiophen-2-imine
CID 123529924
ethane;(3Z)-N-ethenyl-3-ethylidene-5-methylthiophen-2-imine
CID 142981534
(Z)-but-2-ene;ethane;(3Z)-3-ethylidene-N,4,5-trimethylthiophen-2-imine
CID 143718092
(2E)-2-but-3-en-2-ylidene-N,5-dimethylthiophen-3-imine
CID 143858163
5-methyl-3-methylidene-N-[(Z)-prop-1-enyl]thiophen-2-imine
CID 143900807
(3Z)-5-ethyl-N-methyl-3-propylidenethiophen-2-imine
CID 144699030
5-ethyl-3-methylidene-N-[(Z)-prop-1-enyl]thiophen-2-imine
CID 144840803
(3Z)-3-butylidene-N-methylthiophen-2-imine
CID 144960236
N,5-dimethyl-3-propan-2-ylidenethiophen-2-imine
CID 153342683

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethylidene-N,4,5-trimethylthiophen-2-imine?
The IUPAC name of (3Z)-3-ethylidene-N,4,5-trimethylthiophen-2-imine (CID 143718093) is (3Z)-3-ethylidene-N,4,5-trimethylthiophen-2-imine.
What is the SMILES notation for (3Z)-3-ethylidene-N,4,5-trimethylthiophen-2-imine?
The canonical SMILES for (3Z)-3-ethylidene-N,4,5-trimethylthiophen-2-imine is C/C=C1/C(C)=C(C)S/C1=N\C.
What is the InChIKey of (3Z)-3-ethylidene-N,4,5-trimethylthiophen-2-imine?
The InChIKey is IJXLPMOGGBYFGU-IVXNCWGASA-N. The full InChI is InChI=1S/C9H13NS/c1-5-8-6(2)7(3)11-9(8)10-4/h5H,1-4H3/b8-5-,10-9-.
What are the key properties of (3Z)-3-ethylidene-N,4,5-trimethylthiophen-2-imine?
(3Z)-3-ethylidene-N,4,5-trimethylthiophen-2-imine has a molecular weight of 167.28 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-N,4,5-trimethylthiophen-2-imine is sourced from PubChem (CID 143718093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).