(2R)-3-(pyridin-2-yldisulfanyl)propane-1,2-diol

C8H11NO2S2 — CID 125489143

IUPAC(2R)-3-(pyridin-2-yldisulfanyl)propane-1,2-diol
SMILESOC[C@@H](O)CSSc1ccccn1
InChIInChI=1S/C8H11NO2S2/c10-5-7(11)6-12-13-8-3-1-2-4-9-8/h1-4,7,10-11H,5-6H2/t7-/m1/s1
InChIKeyRLDIKNMBHQFEQT-SSDOTTSWSA-N
MW217.31 g/mol
LogP1.18
Rot. Bonds5

About (2R)-3-(pyridin-2-yldisulfanyl)propane-1,2-diol

(2R)-3-(pyridin-2-yldisulfanyl)propane-1,2-diol (PubChem CID 125489143) has the molecular formula C8H11NO2S2 and a molecular weight of 217.31 g/mol. Its IUPAC name is (2R)-3-(pyridin-2-yldisulfanyl)propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-(pyridin-2-yldisulfanyl)propane-1,2-diol
PubChem CID125489143
Molecular FormulaC8H11NO2S2
Molecular Weight217.31 g/mol
Exact Mass217.02
IUPAC Name(2R)-3-(pyridin-2-yldisulfanyl)propane-1,2-diol
SMILESOC[C@@H](O)CSSc1ccccn1
InChIInChI=1S/C8H11NO2S2/c10-5-7(11)6-12-13-8-3-1-2-4-9-8/h1-4,7,10-11H,5-6H2/t7-/m1/s1
InChIKeyRLDIKNMBHQFEQT-SSDOTTSWSA-N
XLogP1.18
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-(pyridin-2-yldisulfanyl)propan-2-ol
CID 155484839
(2R,3R)-4-pyridin-2-ylsulfanylbutane-1,2,3-triol
CID 69497472
3-(pyridin-2-ylmethylsulfanyl)propane-1,2-diol
CID 79682125
3-(2-pyridin-2-ylethylsulfanyl)propane-1,2-diol
CID 79682874
2-(pyridin-2-yldisulfanyl)pyridine;tin(4+);tetrachloride
CID 21452483
1-(pyridin-2-yldisulfanyl)propan-2-one
CID 88565959
2-(pyridin-2-yldisulfanyl)but-3-en-1-ol
CID 44604024
2-(pyridin-2-yldisulfanyl)ethanol;2-(pyridin-2-yldisulfanyl)pyridine;2-sulfanylethanol;iodide
CID 161040168
ethene;2-(pyridin-2-yldisulfanyl)pyridine
CID 130237828
2-(pyridin-2-ylhexasulfanyl)pyridine
CID 87930543
N-methyl-2-(pyridin-2-yldisulfanyl)ethanamine
CID 89137900
2-(but-3-enyldisulfanyl)pyridine
CID 89193061

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(pyridin-2-yldisulfanyl)propane-1,2-diol?
The IUPAC name of (2R)-3-(pyridin-2-yldisulfanyl)propane-1,2-diol (CID 125489143) is (2R)-3-(pyridin-2-yldisulfanyl)propane-1,2-diol.
What is the SMILES notation for (2R)-3-(pyridin-2-yldisulfanyl)propane-1,2-diol?
The canonical SMILES for (2R)-3-(pyridin-2-yldisulfanyl)propane-1,2-diol is OC[C@@H](O)CSSc1ccccn1.
What is the InChIKey of (2R)-3-(pyridin-2-yldisulfanyl)propane-1,2-diol?
The InChIKey is RLDIKNMBHQFEQT-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H11NO2S2/c10-5-7(11)6-12-13-8-3-1-2-4-9-8/h1-4,7,10-11H,5-6H2/t7-/m1/s1.
What are the key properties of (2R)-3-(pyridin-2-yldisulfanyl)propane-1,2-diol?
(2R)-3-(pyridin-2-yldisulfanyl)propane-1,2-diol has a molecular weight of 217.31 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(pyridin-2-yldisulfanyl)propane-1,2-diol is sourced from PubChem (CID 125489143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).