(Z)-3-N-[(Z)-2-ethenylsulfanylbut-2-enyl]-4-ethyl-5-N-methylidenehex-4-ene-3,5-diimine

C15H24N2S — CID 143331689

IUPAC(Z)-3-N-[(Z)-2-ethenylsulfanylbut-2-enyl]-4-ethyl-5-N-methylidenehex-4-ene-3,5-diimine
SMILESC=CS/C(=C\C)C/N=C(CC)/C(CC)=C(/C)N=C
InChIInChI=1S/C15H24N2S/c1-7-13(18-10-4)11-17-15(9-3)14(8-2)12(5)16-6/h7,10H,4,6,8-9,11H2,1-3,5H3/b13-7-,14-12-,17-15+
InChIKeyAKWPDOGDLKIOFY-QYBJWGGJSA-N
MW264.44 g/mol
LogP5.00
Rot. Bonds8

About (Z)-3-N-[(Z)-2-ethenylsulfanylbut-2-enyl]-4-ethyl-5-N-methylidenehex-4-ene-3,5-diimine

(Z)-3-N-[(Z)-2-ethenylsulfanylbut-2-enyl]-4-ethyl-5-N-methylidenehex-4-ene-3,5-diimine (PubChem CID 143331689) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is (Z)-3-N-[(Z)-2-ethenylsulfanylbut-2-enyl]-4-ethyl-5-N-methylidenehex-4-ene-3,5-diimine.

Molecular Properties

Compound Name(Z)-3-N-[(Z)-2-ethenylsulfanylbut-2-enyl]-4-ethyl-5-N-methylidenehex-4-ene-3,5-diimine
PubChem CID143331689
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name(Z)-3-N-[(Z)-2-ethenylsulfanylbut-2-enyl]-4-ethyl-5-N-methylidenehex-4-ene-3,5-diimine
SMILESC=CS/C(=C\C)C/N=C(CC)/C(CC)=C(/C)N=C
InChIInChI=1S/C15H24N2S/c1-7-13(18-10-4)11-17-15(9-3)14(8-2)12(5)16-6/h7,10H,4,6,8-9,11H2,1-3,5H3/b13-7-,14-12-,17-15+
InChIKeyAKWPDOGDLKIOFY-QYBJWGGJSA-N
XLogP5.00
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.44
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-methyl-3-N-(2-methylsulfanylethyl)-2-N-propan-2-ylhex-4-ene-2,3-diimine
CID 143718079
5-[(Z)-but-2-en-2-yl]-2,7-dimethyl-3-[[(Z)-pent-2-en-2-yl]sulfanylmethyl]-6H-1,4-diazepine
CID 143718214

Frequently Asked Questions

What is the IUPAC name of (Z)-3-N-[(Z)-2-ethenylsulfanylbut-2-enyl]-4-ethyl-5-N-methylidenehex-4-ene-3,5-diimine?
The IUPAC name of (Z)-3-N-[(Z)-2-ethenylsulfanylbut-2-enyl]-4-ethyl-5-N-methylidenehex-4-ene-3,5-diimine (CID 143331689) is (Z)-3-N-[(Z)-2-ethenylsulfanylbut-2-enyl]-4-ethyl-5-N-methylidenehex-4-ene-3,5-diimine.
What is the SMILES notation for (Z)-3-N-[(Z)-2-ethenylsulfanylbut-2-enyl]-4-ethyl-5-N-methylidenehex-4-ene-3,5-diimine?
The canonical SMILES for (Z)-3-N-[(Z)-2-ethenylsulfanylbut-2-enyl]-4-ethyl-5-N-methylidenehex-4-ene-3,5-diimine is C=CS/C(=C\C)C/N=C(CC)/C(CC)=C(/C)N=C.
What is the InChIKey of (Z)-3-N-[(Z)-2-ethenylsulfanylbut-2-enyl]-4-ethyl-5-N-methylidenehex-4-ene-3,5-diimine?
The InChIKey is AKWPDOGDLKIOFY-QYBJWGGJSA-N. The full InChI is InChI=1S/C15H24N2S/c1-7-13(18-10-4)11-17-15(9-3)14(8-2)12(5)16-6/h7,10H,4,6,8-9,11H2,1-3,5H3/b13-7-,14-12-,17-15+.
What are the key properties of (Z)-3-N-[(Z)-2-ethenylsulfanylbut-2-enyl]-4-ethyl-5-N-methylidenehex-4-ene-3,5-diimine?
(Z)-3-N-[(Z)-2-ethenylsulfanylbut-2-enyl]-4-ethyl-5-N-methylidenehex-4-ene-3,5-diimine has a molecular weight of 264.44 g/mol, XLogP of 5.00, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-N-[(Z)-2-ethenylsulfanylbut-2-enyl]-4-ethyl-5-N-methylidenehex-4-ene-3,5-diimine is sourced from PubChem (CID 143331689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).