N-[(2E)-2-methyl-4-methylsulfanylpenta-2,4-dienyl]methanimine

C8H13NS — CID 126582887

IUPACN-[(2E)-2-methyl-4-methylsulfanylpenta-2,4-dienyl]methanimine
SMILESC=NC/C(C)=C/C(=C)SC
InChIInChI=1S/C8H13NS/c1-7(6-9-3)5-8(2)10-4/h5H,2-3,6H2,1,4H3/b7-5+
InChIKeyAAKFJBNYPSVOKX-FNORWQNLSA-N
MW155.27 g/mol
LogP2.51
Rot. Bonds4

About N-[(2E)-2-methyl-4-methylsulfanylpenta-2,4-dienyl]methanimine

N-[(2E)-2-methyl-4-methylsulfanylpenta-2,4-dienyl]methanimine (PubChem CID 126582887) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is N-[(2E)-2-methyl-4-methylsulfanylpenta-2,4-dienyl]methanimine.

Molecular Properties

Compound NameN-[(2E)-2-methyl-4-methylsulfanylpenta-2,4-dienyl]methanimine
PubChem CID126582887
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC NameN-[(2E)-2-methyl-4-methylsulfanylpenta-2,4-dienyl]methanimine
SMILESC=NC/C(C)=C/C(=C)SC
InChIInChI=1S/C8H13NS/c1-7(6-9-3)5-8(2)10-4/h5H,2-3,6H2,1,4H3/b7-5+
InChIKeyAAKFJBNYPSVOKX-FNORWQNLSA-N
XLogP2.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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'}

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Related Compounds

(3E)-4-methyl-5-(methylideneamino)penta-1,3-diene-2-thiol
CID 126637364
N-[(2E,4Z)-2-methylsulfanylhexa-2,4-dienyl]methanimine
CID 132263538
N-[(E)-2-methylsulfanylbut-2-enyl]methanimine
CID 132265190
[(2E,4Z)-hexa-2,4-dien-2-yl] N-ethylmethanimidothioate
CID 139443844
N-(3-methylsulfanylbut-2-enyl)methanimine
CID 156182314

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-2-methyl-4-methylsulfanylpenta-2,4-dienyl]methanimine?
The IUPAC name of N-[(2E)-2-methyl-4-methylsulfanylpenta-2,4-dienyl]methanimine (CID 126582887) is N-[(2E)-2-methyl-4-methylsulfanylpenta-2,4-dienyl]methanimine.
What is the SMILES notation for N-[(2E)-2-methyl-4-methylsulfanylpenta-2,4-dienyl]methanimine?
The canonical SMILES for N-[(2E)-2-methyl-4-methylsulfanylpenta-2,4-dienyl]methanimine is C=NC/C(C)=C/C(=C)SC.
What is the InChIKey of N-[(2E)-2-methyl-4-methylsulfanylpenta-2,4-dienyl]methanimine?
The InChIKey is AAKFJBNYPSVOKX-FNORWQNLSA-N. The full InChI is InChI=1S/C8H13NS/c1-7(6-9-3)5-8(2)10-4/h5H,2-3,6H2,1,4H3/b7-5+.
What are the key properties of N-[(2E)-2-methyl-4-methylsulfanylpenta-2,4-dienyl]methanimine?
N-[(2E)-2-methyl-4-methylsulfanylpenta-2,4-dienyl]methanimine has a molecular weight of 155.27 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-2-methyl-4-methylsulfanylpenta-2,4-dienyl]methanimine is sourced from PubChem (CID 126582887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).