3-[2-(disulfanyl)propan-2-yl]pyridine

C8H11NS2 — CID 152951842

IUPAC3-[2-(disulfanyl)propan-2-yl]pyridine
SMILESCC(C)(SS)c1cccnc1
InChIInChI=1S/C8H11NS2/c1-8(2,11-10)7-4-3-5-9-6-7/h3-6,10H,1-2H3
InChIKeyUOVXFIVRQKCXQG-UHFFFAOYSA-N
MW185.32 g/mol
LogP2.89
Rot. Bonds2

About 3-[2-(disulfanyl)propan-2-yl]pyridine

3-[2-(disulfanyl)propan-2-yl]pyridine (PubChem CID 152951842) has the molecular formula C8H11NS2 and a molecular weight of 185.32 g/mol. Its IUPAC name is 3-[2-(disulfanyl)propan-2-yl]pyridine.

Molecular Properties

Compound Name3-[2-(disulfanyl)propan-2-yl]pyridine
PubChem CID152951842
Molecular FormulaC8H11NS2
Molecular Weight185.32 g/mol
Exact Mass185.03
IUPAC Name3-[2-(disulfanyl)propan-2-yl]pyridine
SMILESCC(C)(SS)c1cccnc1
InChIInChI=1S/C8H11NS2/c1-8(2,11-10)7-4-3-5-9-6-7/h3-6,10H,1-2H3
InChIKeyUOVXFIVRQKCXQG-UHFFFAOYSA-N
XLogP2.89
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-pyridin-3-ylpropane-1,3-diol
CID 130130273
3-tert-butylpyridine;ethane;bis(tritide);tritiomethane;tris(vanadium)
CID 158198593
tripyridin-3-ylmethanol
CID 177395677
(2R)-1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol
CID 7053126
2,4-dimethyl-4-pyridin-3-ylpentan-2-ol
CID 145044151
2-bromo-2-pyridin-3-ylpropanal
CID 174678560
3-methyl-2-pyridin-3-ylbutan-2-ol
CID 58641587
1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol
CID 2748409
(2S)-2-pyridin-3-ylbutan-2-amine
CID 93358668
1-fluoro-2-pyridin-3-ylpropan-2-ol
CID 89407695
3-hydroxy-3-pyridin-3-ylbutan-2-one
CID 4912937
(3R)-3-hydroxy-3-pyridin-3-ylbutan-2-one
CID 7200717

Frequently Asked Questions

What is the IUPAC name of 3-[2-(disulfanyl)propan-2-yl]pyridine?
The IUPAC name of 3-[2-(disulfanyl)propan-2-yl]pyridine (CID 152951842) is 3-[2-(disulfanyl)propan-2-yl]pyridine.
What is the SMILES notation for 3-[2-(disulfanyl)propan-2-yl]pyridine?
The canonical SMILES for 3-[2-(disulfanyl)propan-2-yl]pyridine is CC(C)(SS)c1cccnc1.
What is the InChIKey of 3-[2-(disulfanyl)propan-2-yl]pyridine?
The InChIKey is UOVXFIVRQKCXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS2/c1-8(2,11-10)7-4-3-5-9-6-7/h3-6,10H,1-2H3.
What are the key properties of 3-[2-(disulfanyl)propan-2-yl]pyridine?
3-[2-(disulfanyl)propan-2-yl]pyridine has a molecular weight of 185.32 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(disulfanyl)propan-2-yl]pyridine is sourced from PubChem (CID 152951842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).