1-methyl-3-methylsulfanyl-4H-pyridine

C7H11NS — CID 102267788

IUPAC1-methyl-3-methylsulfanyl-4H-pyridine
SMILESCSC1=CN(C)C=CC1
InChIInChI=1S/C7H11NS/c1-8-5-3-4-7(6-8)9-2/h3,5-6H,4H2,1-2H3
InChIKeyQOJVYJWKCDMBHQ-UHFFFAOYSA-N
MW141.24 g/mol
LogP2.04
Rot. Bonds1

About 1-methyl-3-methylsulfanyl-4H-pyridine

1-methyl-3-methylsulfanyl-4H-pyridine (PubChem CID 102267788) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 1-methyl-3-methylsulfanyl-4H-pyridine.

Molecular Properties

Compound Name1-methyl-3-methylsulfanyl-4H-pyridine
PubChem CID102267788
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name1-methyl-3-methylsulfanyl-4H-pyridine
SMILESCSC1=CN(C)C=CC1
InChIInChI=1S/C7H11NS/c1-8-5-3-4-7(6-8)9-2/h3,5-6H,4H2,1-2H3
InChIKeyQOJVYJWKCDMBHQ-UHFFFAOYSA-N
XLogP2.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-Dihydropyridine methylthiomethyl ester
CID 17913994
N,N-Dimethyl-3-(methylsulfanyl)prop-1-en-1-amine
CID 71325923
(E)-N,N-dimethyl-3-methylsulfanylbut-1-en-1-amine
CID 46185759
N,N-dimethyl-3-methylsulfanylbut-1-en-1-amine
CID 75166264
1-methyl-4H-pyridine-2-thiol
CID 88133603
3-Methyl-2,6-dihydro-1,3-thiazine
CID 89789622
2,4-Dimethyl-1,4-thiazine
CID 138478354
3,6,6-trimethyl-2H-1,3-thiazine
CID 141898477
1-(2-Methylsulfanylethyl)-2,3-dihydropyrrole
CID 142185321
1-methyl-4H-pyridine-3-thiol
CID 143812635
(E)-N,N-diethyl-3-methylsulfanylbut-1-en-1-amine;ethane
CID 144019462
1-methyl-4-methylsulfanyl-3,4-dihydro-2H-pyridine
CID 148813193

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-methylsulfanyl-4H-pyridine?
The IUPAC name of 1-methyl-3-methylsulfanyl-4H-pyridine (CID 102267788) is 1-methyl-3-methylsulfanyl-4H-pyridine.
What is the SMILES notation for 1-methyl-3-methylsulfanyl-4H-pyridine?
The canonical SMILES for 1-methyl-3-methylsulfanyl-4H-pyridine is CSC1=CN(C)C=CC1.
What is the InChIKey of 1-methyl-3-methylsulfanyl-4H-pyridine?
The InChIKey is QOJVYJWKCDMBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-8-5-3-4-7(6-8)9-2/h3,5-6H,4H2,1-2H3.
What are the key properties of 1-methyl-3-methylsulfanyl-4H-pyridine?
1-methyl-3-methylsulfanyl-4H-pyridine has a molecular weight of 141.24 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-methylsulfanyl-4H-pyridine is sourced from PubChem (CID 102267788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).