4-propylsulfanylpyridine

C8H11NS — CID 592710

IUPAC4-propylsulfanylpyridine
SMILESCCCSc1ccncc1
InChIInChI=1S/C8H11NS/c1-2-7-10-8-3-5-9-6-4-8/h3-6H,2,7H2,1H3
InChIKeyZDWFLMWRLJKNDT-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.58
Rot. Bonds3

About 4-propylsulfanylpyridine

4-propylsulfanylpyridine (PubChem CID 592710) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 4-propylsulfanylpyridine.

Molecular Properties

Compound Name4-propylsulfanylpyridine
PubChem CID592710
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name4-propylsulfanylpyridine
SMILESCCCSc1ccncc1
InChIInChI=1S/C8H11NS/c1-2-7-10-8-3-5-9-6-4-8/h3-6H,2,7H2,1H3
InChIKeyZDWFLMWRLJKNDT-UHFFFAOYSA-N
XLogP2.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4'-Dithiodipyridine
CID 75846
4-(Phenylthio)pyridine
CID 99184
2-Phenylthiopyridine
CID 817760
3-Mercaptopyridine
CID 27691
Pyridine, 2-(methylthio)-
CID 29076
Pyridine, 3-((methylthio)methyl)-
CID 3053474
2-(Methylsulfonyl)pyridine
CID 98667
2-{2-[(4-Fluorophenyl)sulfanyl]ethyl}pyridine
CID 761521
2-((Methylthiomethyl)Dithio)Pyridine-N-Oxide
CID 45267926
4-(2-(Phenylthio)ethyl)pyridine
CID 88779
4-(2-(Benzylthio)ethyl)pyridine
CID 210230
2-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}pyridine
CID 5713317

Frequently Asked Questions

What is the IUPAC name of 4-propylsulfanylpyridine?
The IUPAC name of 4-propylsulfanylpyridine (CID 592710) is 4-propylsulfanylpyridine.
What is the SMILES notation for 4-propylsulfanylpyridine?
The canonical SMILES for 4-propylsulfanylpyridine is CCCSc1ccncc1.
What is the InChIKey of 4-propylsulfanylpyridine?
The InChIKey is ZDWFLMWRLJKNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-2-7-10-8-3-5-9-6-4-8/h3-6H,2,7H2,1H3.
What are the key properties of 4-propylsulfanylpyridine?
4-propylsulfanylpyridine has a molecular weight of 153.25 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylsulfanylpyridine is sourced from PubChem (CID 592710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).