4-methyl-3-methylsulfanylpyridine

C7H9NS — CID 21345785

IUPAC4-methyl-3-methylsulfanylpyridine
SMILESCSc1cnccc1C
InChIInChI=1S/C7H9NS/c1-6-3-4-8-5-7(6)9-2/h3-5H,1-2H3
InChIKeyGBQOUNYOJQDTMR-UHFFFAOYSA-N
MW139.22 g/mol
LogP2.11
Rot. Bonds1

About 4-methyl-3-methylsulfanylpyridine

4-methyl-3-methylsulfanylpyridine (PubChem CID 21345785) has the molecular formula C7H9NS and a molecular weight of 139.22 g/mol. Its IUPAC name is 4-methyl-3-methylsulfanylpyridine.

Molecular Properties

Compound Name4-methyl-3-methylsulfanylpyridine
PubChem CID21345785
Molecular FormulaC7H9NS
Molecular Weight139.22 g/mol
Exact Mass139.05
IUPAC Name4-methyl-3-methylsulfanylpyridine
SMILESCSc1cnccc1C
InChIInChI=1S/C7H9NS/c1-6-3-4-8-5-7(6)9-2/h3-5H,1-2H3
InChIKeyGBQOUNYOJQDTMR-UHFFFAOYSA-N
XLogP2.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxysulfanyl-4-methylpyridine
CID 142082801
3,4-dimethylpyridine;1,2-xylene
CID 158871716
1-(4-methyl-3-pyridinyl)-2-pyridin-4-ylethanol
CID 66273541
4-methyl-3-(methylsulfanylmethyl)pyridine
CID 89105159
4-methylsulfanylpyridine-3-carbaldehyde
CID 12956352
3-[(1R)-1-bromoethyl]-4-methylpyridine
CID 124706368
1-(4-methyl-3-pyridinyl)ethanamine
CID 64988869
1-(4-methyl-3-pyridinyl)-2-phenylethanol
CID 66273306
4-methylpyridin-3-ol;trihydrobromide
CID 174838364
3-bromo-4-methylpyridine;ethane
CID 143472846
4-(2,5-dimethylphenyl)sulfanylpyridin-3-amine
CID 28890544
N-ethyl-1-(4-methyl-3-pyridinyl)-2-methylsulfanylethanamine
CID 66272071

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-methylsulfanylpyridine?
The IUPAC name of 4-methyl-3-methylsulfanylpyridine (CID 21345785) is 4-methyl-3-methylsulfanylpyridine.
What is the SMILES notation for 4-methyl-3-methylsulfanylpyridine?
The canonical SMILES for 4-methyl-3-methylsulfanylpyridine is CSc1cnccc1C.
What is the InChIKey of 4-methyl-3-methylsulfanylpyridine?
The InChIKey is GBQOUNYOJQDTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NS/c1-6-3-4-8-5-7(6)9-2/h3-5H,1-2H3.
What are the key properties of 4-methyl-3-methylsulfanylpyridine?
4-methyl-3-methylsulfanylpyridine has a molecular weight of 139.22 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-methylsulfanylpyridine is sourced from PubChem (CID 21345785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).