N-(2-methylsulfanylethenyl)ethanimine

C5H9NS — CID 91280172

IUPACN-(2-methylsulfanylethenyl)ethanimine
SMILESC/C=N/C=CSC
InChIInChI=1S/C5H9NS/c1-3-6-4-5-7-2/h3-5H,1-2H3/b5-4?,6-3+
InChIKeyRAYZSEZUIJWWKE-CDQZVZQVSA-N
MW115.20 g/mol
LogP1.91
Rot. Bonds2

About N-(2-methylsulfanylethenyl)ethanimine

N-(2-methylsulfanylethenyl)ethanimine (PubChem CID 91280172) has the molecular formula C5H9NS and a molecular weight of 115.20 g/mol. Its IUPAC name is N-(2-methylsulfanylethenyl)ethanimine.

Molecular Properties

Compound NameN-(2-methylsulfanylethenyl)ethanimine
PubChem CID91280172
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
Exact Mass115.05
IUPAC NameN-(2-methylsulfanylethenyl)ethanimine
SMILESC/C=N/C=CSC
InChIInChI=1S/C5H9NS/c1-3-6-4-5-7-2/h3-5H,1-2H3/b5-4?,6-3+
InChIKeyRAYZSEZUIJWWKE-CDQZVZQVSA-N
XLogP1.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.20
LogP ≤ 51.91
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-(2-methylsulfanylethenyl)ethanimine?
The IUPAC name of N-(2-methylsulfanylethenyl)ethanimine (CID 91280172) is N-(2-methylsulfanylethenyl)ethanimine.
What is the SMILES notation for N-(2-methylsulfanylethenyl)ethanimine?
The canonical SMILES for N-(2-methylsulfanylethenyl)ethanimine is C/C=N/C=CSC.
What is the InChIKey of N-(2-methylsulfanylethenyl)ethanimine?
The InChIKey is RAYZSEZUIJWWKE-CDQZVZQVSA-N. The full InChI is InChI=1S/C5H9NS/c1-3-6-4-5-7-2/h3-5H,1-2H3/b5-4?,6-3+.
What are the key properties of N-(2-methylsulfanylethenyl)ethanimine?
N-(2-methylsulfanylethenyl)ethanimine has a molecular weight of 115.20 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylethenyl)ethanimine is sourced from PubChem (CID 91280172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).