(2Z,4E)-N,4-dimethyl-5-methylsulfanylpenta-2,4-dien-1-imine

C8H13NS — CID 143830040

IUPAC(2Z,4E)-N,4-dimethyl-5-methylsulfanylpenta-2,4-dien-1-imine
SMILESC/N=C/C=C\C(C)=C\SC
InChIInChI=1S/C8H13NS/c1-8(7-10-3)5-4-6-9-2/h4-7H,1-3H3/b5-4-,8-7+,9-6+
InChIKeyJXZBWUUWPPAEGG-HPRYQFLYSA-N
MW155.27 g/mol
LogP2.51
Rot. Bonds3

About (2Z,4E)-N,4-dimethyl-5-methylsulfanylpenta-2,4-dien-1-imine

(2Z,4E)-N,4-dimethyl-5-methylsulfanylpenta-2,4-dien-1-imine (PubChem CID 143830040) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is (2Z,4E)-N,4-dimethyl-5-methylsulfanylpenta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4E)-N,4-dimethyl-5-methylsulfanylpenta-2,4-dien-1-imine
PubChem CID143830040
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name(2Z,4E)-N,4-dimethyl-5-methylsulfanylpenta-2,4-dien-1-imine
SMILESC/N=C/C=C\C(C)=C\SC
InChIInChI=1S/C8H13NS/c1-8(7-10-3)5-4-6-9-2/h4-7H,1-3H3/b5-4-,8-7+,9-6+
InChIKeyJXZBWUUWPPAEGG-HPRYQFLYSA-N
XLogP2.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z,4E)-N,4-dimethyl-5-methylsulfanylpenta-2,4-dien-1-imine with MolForge

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Launch Full Analysis

Related Compounds

(2Z,4E)-N,4-dimethylhexa-2,4-dien-1-imine
CID 89258853
(2Z,4E,6E)-N,8-dimethylnona-2,4,6,8-tetraen-1-imine
CID 89324895
(2Z,4Z)-N,3-dimethylhexa-2,4-dien-1-imine
CID 89608826
2-(2-but-2-enylidenethiophen-3-ylidene)-N-methylethanimine
CID 123368043
2,3-Dihydropyridin-3-yl(trimethyl)-lambda4-sulfane
CID 123644316
N,3-dimethylocta-2,4,6-trien-1-imine
CID 123796424
(2Z,5Z)-N-methyl-4-methylidenehepta-2,5-dien-1-imine
CID 126690722
N-[(E)-2-[(1E,3Z)-2-methylpenta-1,3-dienyl]sulfanylethenyl]methanimine
CID 132196708
(2Z,4Z)-N,4-dimethylhexa-2,4-dien-1-imine
CID 137496574
(2E,4E)-3-ethenyl-N,6-dimethylhepta-2,4,6-trien-1-imine
CID 138509594
(Z)-N-ethyl-2-methylidene-4-methylsulfanylbut-3-en-1-imine
CID 138728512
(2Z)-N-methyl-2-(2-methylidenethiophen-3-ylidene)ethanimine
CID 139297349

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-N,4-dimethyl-5-methylsulfanylpenta-2,4-dien-1-imine?
The IUPAC name of (2Z,4E)-N,4-dimethyl-5-methylsulfanylpenta-2,4-dien-1-imine (CID 143830040) is (2Z,4E)-N,4-dimethyl-5-methylsulfanylpenta-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4E)-N,4-dimethyl-5-methylsulfanylpenta-2,4-dien-1-imine?
The canonical SMILES for (2Z,4E)-N,4-dimethyl-5-methylsulfanylpenta-2,4-dien-1-imine is C/N=C/C=C\C(C)=C\SC.
What is the InChIKey of (2Z,4E)-N,4-dimethyl-5-methylsulfanylpenta-2,4-dien-1-imine?
The InChIKey is JXZBWUUWPPAEGG-HPRYQFLYSA-N. The full InChI is InChI=1S/C8H13NS/c1-8(7-10-3)5-4-6-9-2/h4-7H,1-3H3/b5-4-,8-7+,9-6+.
What are the key properties of (2Z,4E)-N,4-dimethyl-5-methylsulfanylpenta-2,4-dien-1-imine?
(2Z,4E)-N,4-dimethyl-5-methylsulfanylpenta-2,4-dien-1-imine has a molecular weight of 155.27 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N,4-dimethyl-5-methylsulfanylpenta-2,4-dien-1-imine is sourced from PubChem (CID 143830040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).