N-[(1E)-1-ethylsulfanyl-2-methylbuta-1,3-dienyl]methanimine

C8H13NS — CID 143298418

IUPACN-[(1E)-1-ethylsulfanyl-2-methylbuta-1,3-dienyl]methanimine
SMILESC=C/C(C)=C(\N=C)SCC
InChIInChI=1S/C8H13NS/c1-5-7(3)8(9-4)10-6-2/h5H,1,4,6H2,2-3H3/b8-7+
InChIKeyFLMMWTQAQNGJRF-BQYQJAHWSA-N
MW155.27 g/mol
LogP2.86
Rot. Bonds4

About N-[(1E)-1-ethylsulfanyl-2-methylbuta-1,3-dienyl]methanimine

N-[(1E)-1-ethylsulfanyl-2-methylbuta-1,3-dienyl]methanimine (PubChem CID 143298418) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is N-[(1E)-1-ethylsulfanyl-2-methylbuta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1E)-1-ethylsulfanyl-2-methylbuta-1,3-dienyl]methanimine
PubChem CID143298418
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC NameN-[(1E)-1-ethylsulfanyl-2-methylbuta-1,3-dienyl]methanimine
SMILESC=C/C(C)=C(\N=C)SCC
InChIInChI=1S/C8H13NS/c1-5-7(3)8(9-4)10-6-2/h5H,1,4,6H2,2-3H3/b8-7+
InChIKeyFLMMWTQAQNGJRF-BQYQJAHWSA-N
XLogP2.86
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 ≤ 52.86
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

N-ethylidene-2-methyl-1-methylsulfanyl-1,3-butadien-1-amine
CID 85711847
ethane;N-[(1E)-1-ethylsulfanyl-2-methylbuta-1,3-dienyl]methanimine
CID 143298417
(Z)-N-[(1E)-2-methyl-1-methylsulfanylbuta-1,3-dienyl]ethanimine
CID 142821593
N-[(1Z)-1-ethylsulfanyl-2-methylsulfanylbuta-1,3-dienyl]methanimine
CID 144683266

Frequently Asked Questions

What is the IUPAC name of N-[(1E)-1-ethylsulfanyl-2-methylbuta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1E)-1-ethylsulfanyl-2-methylbuta-1,3-dienyl]methanimine (CID 143298418) is N-[(1E)-1-ethylsulfanyl-2-methylbuta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1E)-1-ethylsulfanyl-2-methylbuta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1E)-1-ethylsulfanyl-2-methylbuta-1,3-dienyl]methanimine is C=C/C(C)=C(\N=C)SCC.
What is the InChIKey of N-[(1E)-1-ethylsulfanyl-2-methylbuta-1,3-dienyl]methanimine?
The InChIKey is FLMMWTQAQNGJRF-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H13NS/c1-5-7(3)8(9-4)10-6-2/h5H,1,4,6H2,2-3H3/b8-7+.
What are the key properties of N-[(1E)-1-ethylsulfanyl-2-methylbuta-1,3-dienyl]methanimine?
N-[(1E)-1-ethylsulfanyl-2-methylbuta-1,3-dienyl]methanimine has a molecular weight of 155.27 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E)-1-ethylsulfanyl-2-methylbuta-1,3-dienyl]methanimine is sourced from PubChem (CID 143298418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).