N-methoxy-2-methylsulfanylethanimine

C4H9NOS — CID 91242094

IUPACN-methoxy-2-methylsulfanylethanimine
SMILESCON=CCSC
InChIInChI=1S/C4H9NOS/c1-6-5-3-4-7-2/h3H,4H2,1-2H3
InChIKeyBVSSUBKZSKNNPJ-UHFFFAOYSA-N
MW119.19 g/mol
LogP0.98
Rot. Bonds3

About N-methoxy-2-methylsulfanylethanimine

N-methoxy-2-methylsulfanylethanimine (PubChem CID 91242094) has the molecular formula C4H9NOS and a molecular weight of 119.19 g/mol. Its IUPAC name is N-methoxy-2-methylsulfanylethanimine.

Molecular Properties

Compound NameN-methoxy-2-methylsulfanylethanimine
PubChem CID91242094
Molecular FormulaC4H9NOS
Molecular Weight119.19 g/mol
Exact Mass119.04
IUPAC NameN-methoxy-2-methylsulfanylethanimine
SMILESCON=CCSC
InChIInChI=1S/C4H9NOS/c1-6-5-3-4-7-2/h3H,4H2,1-2H3
InChIKeyBVSSUBKZSKNNPJ-UHFFFAOYSA-N
XLogP0.98
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.19
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-methylsulfanylethanimine?
The IUPAC name of N-methoxy-2-methylsulfanylethanimine (CID 91242094) is N-methoxy-2-methylsulfanylethanimine.
What is the SMILES notation for N-methoxy-2-methylsulfanylethanimine?
The canonical SMILES for N-methoxy-2-methylsulfanylethanimine is CON=CCSC.
What is the InChIKey of N-methoxy-2-methylsulfanylethanimine?
The InChIKey is BVSSUBKZSKNNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NOS/c1-6-5-3-4-7-2/h3H,4H2,1-2H3.
What are the key properties of N-methoxy-2-methylsulfanylethanimine?
N-methoxy-2-methylsulfanylethanimine has a molecular weight of 119.19 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-methylsulfanylethanimine is sourced from PubChem (CID 91242094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).