N-(2-ethylsulfanylprop-2-enyl)methanimine

C6H11NS — CID 129147822

IUPACN-(2-ethylsulfanylprop-2-enyl)methanimine
SMILESC=NCC(=C)SCC
InChIInChI=1S/C6H11NS/c1-4-8-6(2)5-7-3/h2-5H2,1H3
InChIKeyJYYBCNJYALEADL-UHFFFAOYSA-N
MW129.23 g/mol
LogP1.95
Rot. Bonds4

About N-(2-ethylsulfanylprop-2-enyl)methanimine

N-(2-ethylsulfanylprop-2-enyl)methanimine (PubChem CID 129147822) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is N-(2-ethylsulfanylprop-2-enyl)methanimine.

Molecular Properties

Compound NameN-(2-ethylsulfanylprop-2-enyl)methanimine
PubChem CID129147822
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC NameN-(2-ethylsulfanylprop-2-enyl)methanimine
SMILESC=NCC(=C)SCC
InChIInChI=1S/C6H11NS/c1-4-8-6(2)5-7-3/h2-5H2,1H3
InChIKeyJYYBCNJYALEADL-UHFFFAOYSA-N
XLogP1.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-2-ethenylsulfanylprop-1-enyl]methanimine
CID 89337888
ethane;5-methylidene-4H-1,3-thiazole
CID 91352902
N-[(E)-3-methylsulfanylprop-2-enyl]methanimine
CID 118675776
N-(3-ethylsulfanylprop-2-enyl)methanimine
CID 123565097
N-(2-ethylsulfanylprop-1-enyl)methanimine
CID 123725369
N-[(Z)-3-methylsulfanylprop-2-enyl]methanimine
CID 132172389
N-[(E)-2-methylsulfanylbut-2-enyl]methanimine
CID 132265190
N-[(Z)-2-propan-2-ylsulfanylprop-1-enyl]methanimine
CID 138570372
N-[(Z)-2-ethylsulfanylprop-1-enyl]methanimine
CID 139500061
N-[(E)-2-ethenylsulfanylprop-1-enyl]methanimine
CID 142031514
N-[(2S)-2-ethylsulfanylpropyl]methanimine;prop-1-ene
CID 142816779
prop-1-en-2-yl N-ethylmethanimidothioate
CID 145260177

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylprop-2-enyl)methanimine?
The IUPAC name of N-(2-ethylsulfanylprop-2-enyl)methanimine (CID 129147822) is N-(2-ethylsulfanylprop-2-enyl)methanimine.
What is the SMILES notation for N-(2-ethylsulfanylprop-2-enyl)methanimine?
The canonical SMILES for N-(2-ethylsulfanylprop-2-enyl)methanimine is C=NCC(=C)SCC.
What is the InChIKey of N-(2-ethylsulfanylprop-2-enyl)methanimine?
The InChIKey is JYYBCNJYALEADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-4-8-6(2)5-7-3/h2-5H2,1H3.
What are the key properties of N-(2-ethylsulfanylprop-2-enyl)methanimine?
N-(2-ethylsulfanylprop-2-enyl)methanimine has a molecular weight of 129.23 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylprop-2-enyl)methanimine is sourced from PubChem (CID 129147822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).