(E)-1-(5-methyl-2-pyridinyl)-N-methylsulfanylmethanimine

C8H10N2S — CID 144799365

IUPAC(E)-1-(5-methyl-2-pyridinyl)-N-methylsulfanylmethanimine
SMILESCS/N=C/c1ccc(C)cn1
InChIInChI=1S/C8H10N2S/c1-7-3-4-8(9-5-7)6-10-11-2/h3-6H,1-2H3/b10-6+
InChIKeyQTTZDIPITWQZOX-UXBLZVDNSA-N
MW166.25 g/mol
LogP2.09
Rot. Bonds2

About (E)-1-(5-methyl-2-pyridinyl)-N-methylsulfanylmethanimine

(E)-1-(5-methyl-2-pyridinyl)-N-methylsulfanylmethanimine (PubChem CID 144799365) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is (E)-1-(5-methyl-2-pyridinyl)-N-methylsulfanylmethanimine.

Molecular Properties

Compound Name(E)-1-(5-methyl-2-pyridinyl)-N-methylsulfanylmethanimine
PubChem CID144799365
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC Name(E)-1-(5-methyl-2-pyridinyl)-N-methylsulfanylmethanimine
SMILESCS/N=C/c1ccc(C)cn1
InChIInChI=1S/C8H10N2S/c1-7-3-4-8(9-5-7)6-10-11-2/h3-6H,1-2H3/b10-6+
InChIKeyQTTZDIPITWQZOX-UXBLZVDNSA-N
XLogP2.09
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(5-methyl-2-pyridinyl)-N-methylsulfanylmethanimine?
The IUPAC name of (E)-1-(5-methyl-2-pyridinyl)-N-methylsulfanylmethanimine (CID 144799365) is (E)-1-(5-methyl-2-pyridinyl)-N-methylsulfanylmethanimine.
What is the SMILES notation for (E)-1-(5-methyl-2-pyridinyl)-N-methylsulfanylmethanimine?
The canonical SMILES for (E)-1-(5-methyl-2-pyridinyl)-N-methylsulfanylmethanimine is CS/N=C/c1ccc(C)cn1.
What is the InChIKey of (E)-1-(5-methyl-2-pyridinyl)-N-methylsulfanylmethanimine?
The InChIKey is QTTZDIPITWQZOX-UXBLZVDNSA-N. The full InChI is InChI=1S/C8H10N2S/c1-7-3-4-8(9-5-7)6-10-11-2/h3-6H,1-2H3/b10-6+.
What are the key properties of (E)-1-(5-methyl-2-pyridinyl)-N-methylsulfanylmethanimine?
(E)-1-(5-methyl-2-pyridinyl)-N-methylsulfanylmethanimine has a molecular weight of 166.25 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(5-methyl-2-pyridinyl)-N-methylsulfanylmethanimine is sourced from PubChem (CID 144799365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).