Ethyl-methyl-oxo-pyridin-2-ylimino-λ6-sulfane

Name: Ethyl-methyl-oxo-pyridin-2-ylimino-λ6-sulfane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₈H₁₂N₂OS — CID 125451134

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACethyl-methyl-oxo-pyridin-2-ylimino-λ6-sulfane

SMILESCC[S@@](C)(=O)=Nc1ccccn1

InChIInChI=1S/C8H12N2OS/c1-3-12(2,11)10-8-6-4-5-7-9-8/h4-7H,3H2,1-2H3/t12-/m1/s1

InChIKeyYOWJUZJMNPFSSA-GFCCVEGCSA-N

MW184.26 g/mol

LogP1.83

Rot. Bonds2

About Ethyl-methyl-oxo-pyridin-2-ylimino-λ6-sulfane

Ethyl-methyl-oxo-pyridin-2-ylimino-λ6-sulfane (PubChem CID 125451134) has the molecular formula C₈H₁₂N₂OS and a molecular weight of 184.26 g/mol. Its IUPAC name is ethyl-methyl-oxo-pyridin-2-ylimino-λ6-sulfane.

Molecular Properties

Compound Name	Ethyl-methyl-oxo-pyridin-2-ylimino-λ6-sulfane
PubChem CID	125451134
Molecular Formula	C₈H₁₂N₂OS
Molecular Weight	184.26 g/mol
Exact Mass	184.07
IUPAC Name	ethyl-methyl-oxo-pyridin-2-ylimino-λ6-sulfane
SMILES	CC[S@@](C)(=O)=Nc1ccccn1
InChI	InChI=1S/C8H12N2OS/c1-3-12(2,11)10-8-6-4-5-7-9-8/h4-7H,3H2,1-2H3/t12-/m1/s1
InChIKey	YOWJUZJMNPFSSA-GFCCVEGCSA-N
XLogP	1.83
TPSA	42.32 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	2
Heavy Atoms	12
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	184.26
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Ethyl-methyl-oxo-pyridin-2-ylimino-λ6-sulfane?

The IUPAC name of Ethyl-methyl-oxo-pyridin-2-ylimino-λ6-sulfane (CID 125451134) is ethyl-methyl-oxo-pyridin-2-ylimino-λ6-sulfane.

What is the SMILES notation for Ethyl-methyl-oxo-pyridin-2-ylimino-λ6-sulfane?

The canonical SMILES for Ethyl-methyl-oxo-pyridin-2-ylimino-λ6-sulfane is CC[S@@](C)(=O)=Nc1ccccn1.

What is the InChIKey of Ethyl-methyl-oxo-pyridin-2-ylimino-λ6-sulfane?

The InChIKey is YOWJUZJMNPFSSA-GFCCVEGCSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-3-12(2,11)10-8-6-4-5-7-9-8/h4-7H,3H2,1-2H3/t12-/m1/s1.

What are the key properties of Ethyl-methyl-oxo-pyridin-2-ylimino-λ6-sulfane?

Ethyl-methyl-oxo-pyridin-2-ylimino-λ6-sulfane has a molecular weight of 184.26 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl-methyl-oxo-pyridin-2-ylimino-λ6-sulfane is sourced from PubChem (CID 125451134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 125451134 — identifiers, structure, computed properties (public domain)

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