(2S)-1-(pyridin-2-yldisulfanyl)propan-2-ol

C8H11NOS2 — CID 155484839

IUPAC(2S)-1-(pyridin-2-yldisulfanyl)propan-2-ol
SMILESC[C@H](O)CSSc1ccccn1
InChIInChI=1S/C8H11NOS2/c1-7(10)6-11-12-8-4-2-3-5-9-8/h2-5,7,10H,6H2,1H3/t7-/m0/s1
InChIKeyHXCQADLNJQINPI-ZETCQYMHSA-N
MW201.32 g/mol
LogP2.20
Rot. Bonds4

About (2S)-1-(pyridin-2-yldisulfanyl)propan-2-ol

(2S)-1-(pyridin-2-yldisulfanyl)propan-2-ol (PubChem CID 155484839) has the molecular formula C8H11NOS2 and a molecular weight of 201.32 g/mol. Its IUPAC name is (2S)-1-(pyridin-2-yldisulfanyl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(pyridin-2-yldisulfanyl)propan-2-ol
PubChem CID155484839
Molecular FormulaC8H11NOS2
Molecular Weight201.32 g/mol
Exact Mass201.03
IUPAC Name(2S)-1-(pyridin-2-yldisulfanyl)propan-2-ol
SMILESC[C@H](O)CSSc1ccccn1
InChIInChI=1S/C8H11NOS2/c1-7(10)6-11-12-8-4-2-3-5-9-8/h2-5,7,10H,6H2,1H3/t7-/m0/s1
InChIKeyHXCQADLNJQINPI-ZETCQYMHSA-N
XLogP2.20
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-3-(pyridin-2-yldisulfanyl)propane-1,2-diol
CID 125489143
1-(pyridin-2-yldisulfanyl)propan-2-one
CID 88565959
2-(pyridin-2-yldisulfanyl)pyridine;tin(4+);tetrachloride
CID 21452483
N-methyl-2-(pyridin-2-yldisulfanyl)ethanamine
CID 89137900
2-(3-methylbutan-2-ylsulfanyl)pyridine
CID 20674333
ethene;2-(pyridin-2-yldisulfanyl)pyridine
CID 130237828
1-(propan-2-ylamino)-3-pyridin-2-ylsulfanylpropan-2-ol
CID 43166370
4,4-dimethyl-1-(pyridin-2-yldisulfanyl)pentan-3-one
CID 87103492
3,3-dimethyl-1-(pyridin-2-yldisulfanyl)butan-2-one;ethene
CID 158904952
methane;methanol;2-(pyridin-2-yldisulfanyl)ethylazanium;2-(pyridin-2-yldisulfanyl)pyridine;2-sulfanylethylazanium;dichloride
CID 158342134
ethane;2-(3-methylbutan-2-ylsulfanyl)pyridine
CID 91356772
ethane;2-(2-methylbutylsulfanyl)pyridine
CID 90957639

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(pyridin-2-yldisulfanyl)propan-2-ol?
The IUPAC name of (2S)-1-(pyridin-2-yldisulfanyl)propan-2-ol (CID 155484839) is (2S)-1-(pyridin-2-yldisulfanyl)propan-2-ol.
What is the SMILES notation for (2S)-1-(pyridin-2-yldisulfanyl)propan-2-ol?
The canonical SMILES for (2S)-1-(pyridin-2-yldisulfanyl)propan-2-ol is C[C@H](O)CSSc1ccccn1.
What is the InChIKey of (2S)-1-(pyridin-2-yldisulfanyl)propan-2-ol?
The InChIKey is HXCQADLNJQINPI-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H11NOS2/c1-7(10)6-11-12-8-4-2-3-5-9-8/h2-5,7,10H,6H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-1-(pyridin-2-yldisulfanyl)propan-2-ol?
(2S)-1-(pyridin-2-yldisulfanyl)propan-2-ol has a molecular weight of 201.32 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(pyridin-2-yldisulfanyl)propan-2-ol is sourced from PubChem (CID 155484839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).