N-(3-ethylsulfanylprop-2-enyl)methanimine

C6H11NS — CID 123565097

IUPACN-(3-ethylsulfanylprop-2-enyl)methanimine
SMILESC=NCC=CSCC
InChIInChI=1S/C6H11NS/c1-3-8-6-4-5-7-2/h4,6H,2-3,5H2,1H3
InChIKeyASZHSHMLVCRLSF-UHFFFAOYSA-N
MW129.23 g/mol
LogP1.95
Rot. Bonds4

About N-(3-ethylsulfanylprop-2-enyl)methanimine

N-(3-ethylsulfanylprop-2-enyl)methanimine (PubChem CID 123565097) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is N-(3-ethylsulfanylprop-2-enyl)methanimine.

Molecular Properties

Compound NameN-(3-ethylsulfanylprop-2-enyl)methanimine
PubChem CID123565097
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC NameN-(3-ethylsulfanylprop-2-enyl)methanimine
SMILESC=NCC=CSCC
InChIInChI=1S/C6H11NS/c1-3-8-6-4-5-7-2/h4,6H,2-3,5H2,1H3
InChIKeyASZHSHMLVCRLSF-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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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanylprop-2-enyl)methanimine?
The IUPAC name of N-(3-ethylsulfanylprop-2-enyl)methanimine (CID 123565097) is N-(3-ethylsulfanylprop-2-enyl)methanimine.
What is the SMILES notation for N-(3-ethylsulfanylprop-2-enyl)methanimine?
The canonical SMILES for N-(3-ethylsulfanylprop-2-enyl)methanimine is C=NCC=CSCC.
What is the InChIKey of N-(3-ethylsulfanylprop-2-enyl)methanimine?
The InChIKey is ASZHSHMLVCRLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-3-8-6-4-5-7-2/h4,6H,2-3,5H2,1H3.
What are the key properties of N-(3-ethylsulfanylprop-2-enyl)methanimine?
N-(3-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-(3-ethylsulfanylprop-2-enyl)methanimine is sourced from PubChem (CID 123565097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).