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

C8H12N2OS — CID 125451134

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 Nameethyl-methyl-oxo-pyridin-2-ylimino-λ6-sulfane
PubChem CID125451134
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Nameethyl-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
XLogP1.83
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl-methyl-[(5-nitro-2-pyridinyl)imino]-oxo-λ6-sulfane
CID 125450837
ethane;2-isocyanatopyridine
CID 91297409
(2-bromophenyl)imino-ethyl-methyl-oxo-λ6-sulfane
CID 125449498
2-ethylpyridine;methanesulfonic acid
CID 86038816
dipyridin-2-yldiazene;osmium
CID 173074203
ethyl-methyl-(2-methylpyrazol-3-yl)imino-oxo-λ6-sulfane
CID 125451156
2-(pyridin-2-ylsulfonylmethylsulfonyl)pyridine
CID 139827432
ethyl (NZ)-N-pyridin-2-yliminocarbamate
CID 10773684
propane;2-pyridin-2-ylpyridine
CID 158168510
methyl-methylsulfonyl-pyridin-2-ylazanium
CID 173207841
propan-2-yl(pyridin-2-yl)diazene
CID 123501557
1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine
CID 115626100

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).