[(2E)-3-ethylsulfanylpenta-2,4-dienylidene]-methylazanium

C8H14NS+ — CID 144617795

IUPAC[(2E)-3-ethylsulfanylpenta-2,4-dienylidene]-methylazanium
SMILESC=C/C(=C\C=[NH+]\C)SCC
InChIInChI=1S/C8H13NS/c1-4-8(10-5-2)6-7-9-3/h4,6-7H,1,5H2,2-3H3/p+1/b8-6+,9-7+
InChIKeyRSGSPILWZZDVDE-CDJQDVQCSA-O
MW156.27 g/mol
LogP0.59
Rot. Bonds4

About [(2E)-3-ethylsulfanylpenta-2,4-dienylidene]-methylazanium

[(2E)-3-ethylsulfanylpenta-2,4-dienylidene]-methylazanium (PubChem CID 144617795) has the molecular formula C8H14NS+ and a molecular weight of 156.27 g/mol. Its IUPAC name is [(2E)-3-ethylsulfanylpenta-2,4-dienylidene]-methylazanium.

Molecular Properties

Compound Name[(2E)-3-ethylsulfanylpenta-2,4-dienylidene]-methylazanium
PubChem CID144617795
Molecular FormulaC8H14NS+
Molecular Weight156.27 g/mol
Exact Mass156.08
IUPAC Name[(2E)-3-ethylsulfanylpenta-2,4-dienylidene]-methylazanium
SMILESC=C/C(=C\C=[NH+]\C)SCC
InChIInChI=1S/C8H13NS/c1-4-8(10-5-2)6-7-9-3/h4,6-7H,1,5H2,2-3H3/p+1/b8-6+,9-7+
InChIKeyRSGSPILWZZDVDE-CDJQDVQCSA-O
XLogP0.59
TPSA13.97 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,4Z)-N-methyl-3-methylsulfanylhexa-2,4-dien-1-imine
CID 90143961
5-ethylsulfanyl-2H-azepine
CID 143130070
ethane;methyl-[(2E)-3-methylsulfanylpenta-2,4-dienylidene]azanium
CID 144617883
(2Z,4E)-N-methyl-4-methylsulfanylhexa-2,4-dien-1-imine
CID 142189696
(2E)-3-ethylsulfanyl-N-methylpenta-2,4-dien-1-imine
CID 144617796

Frequently Asked Questions

What is the IUPAC name of [(2E)-3-ethylsulfanylpenta-2,4-dienylidene]-methylazanium?
The IUPAC name of [(2E)-3-ethylsulfanylpenta-2,4-dienylidene]-methylazanium (CID 144617795) is [(2E)-3-ethylsulfanylpenta-2,4-dienylidene]-methylazanium.
What is the SMILES notation for [(2E)-3-ethylsulfanylpenta-2,4-dienylidene]-methylazanium?
The canonical SMILES for [(2E)-3-ethylsulfanylpenta-2,4-dienylidene]-methylazanium is C=C/C(=C\C=[NH+]\C)SCC.
What is the InChIKey of [(2E)-3-ethylsulfanylpenta-2,4-dienylidene]-methylazanium?
The InChIKey is RSGSPILWZZDVDE-CDJQDVQCSA-O. The full InChI is InChI=1S/C8H13NS/c1-4-8(10-5-2)6-7-9-3/h4,6-7H,1,5H2,2-3H3/p+1/b8-6+,9-7+.
What are the key properties of [(2E)-3-ethylsulfanylpenta-2,4-dienylidene]-methylazanium?
[(2E)-3-ethylsulfanylpenta-2,4-dienylidene]-methylazanium has a molecular weight of 156.27 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-3-ethylsulfanylpenta-2,4-dienylidene]-methylazanium is sourced from PubChem (CID 144617795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).