1-(pyridin-2-yldisulfanyl)propan-2-one

C8H9NOS2 — CID 88565959

IUPAC1-(pyridin-2-yldisulfanyl)propan-2-one
SMILESCC(=O)CSSc1ccccn1
InChIInChI=1S/C8H9NOS2/c1-7(10)6-11-12-8-4-2-3-5-9-8/h2-5H,6H2,1H3
InChIKeyQOFCPNDSGXCYBX-UHFFFAOYSA-N
MW199.30 g/mol
LogP2.41
Rot. Bonds4

About 1-(pyridin-2-yldisulfanyl)propan-2-one

1-(pyridin-2-yldisulfanyl)propan-2-one (PubChem CID 88565959) has the molecular formula C8H9NOS2 and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-(pyridin-2-yldisulfanyl)propan-2-one.

Molecular Properties

Compound Name1-(pyridin-2-yldisulfanyl)propan-2-one
PubChem CID88565959
Molecular FormulaC8H9NOS2
Molecular Weight199.30 g/mol
Exact Mass199.01
IUPAC Name1-(pyridin-2-yldisulfanyl)propan-2-one
SMILESCC(=O)CSSc1ccccn1
InChIInChI=1S/C8H9NOS2/c1-7(10)6-11-12-8-4-2-3-5-9-8/h2-5H,6H2,1H3
InChIKeyQOFCPNDSGXCYBX-UHFFFAOYSA-N
XLogP2.41
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyl-1-(pyridin-2-yldisulfanyl)butan-2-one;ethene
CID 158904952
(2S)-1-(pyridin-2-yldisulfanyl)propan-2-ol
CID 155484839
4,4-dimethyl-1-(pyridin-2-yldisulfanyl)pentan-3-one
CID 87103492
(2R)-3-(pyridin-2-yldisulfanyl)propane-1,2-diol
CID 125489143
4-pyridin-2-ylsulfanylpentan-2-one
CID 64727463
2-(pyridin-2-yldisulfanyl)pyridine;tin(4+);tetrachloride
CID 21452483
2-methylpent-2-enamide;2-(pyridin-2-yldisulfanyl)pyridine
CID 174994599
N-methyl-2-(pyridin-2-yldisulfanyl)ethanamine
CID 89137900
N'-acetyl-2-pyridin-2-ylsulfanylacetohydrazide
CID 37063876
ethene;2-(pyridin-2-yldisulfanyl)pyridine
CID 130237828
2-(tert-butyldisulfanyl)pyridine;S-tert-butyl ethanethioate
CID 157392300
2-(2,5-dihydroxypyrrol-1-yl)-4-(pyridin-2-yldisulfanyl)butanoic acid
CID 90908564

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-2-yldisulfanyl)propan-2-one?
The IUPAC name of 1-(pyridin-2-yldisulfanyl)propan-2-one (CID 88565959) is 1-(pyridin-2-yldisulfanyl)propan-2-one.
What is the SMILES notation for 1-(pyridin-2-yldisulfanyl)propan-2-one?
The canonical SMILES for 1-(pyridin-2-yldisulfanyl)propan-2-one is CC(=O)CSSc1ccccn1.
What is the InChIKey of 1-(pyridin-2-yldisulfanyl)propan-2-one?
The InChIKey is QOFCPNDSGXCYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS2/c1-7(10)6-11-12-8-4-2-3-5-9-8/h2-5H,6H2,1H3.
What are the key properties of 1-(pyridin-2-yldisulfanyl)propan-2-one?
1-(pyridin-2-yldisulfanyl)propan-2-one has a molecular weight of 199.30 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-2-yldisulfanyl)propan-2-one is sourced from PubChem (CID 88565959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).