3-(methylsulfanylmethyl)pyridine

C7H9NS — CID 3053474

IUPAC3-(methylsulfanylmethyl)pyridine
SMILESCSCc1cccnc1
InChIInChI=1S/C7H9NS/c1-9-6-7-3-2-4-8-5-7/h2-5H,6H2,1H3
InChIKeyDMBKVOYJOGETRJ-UHFFFAOYSA-N
MW139.22 g/mol
LogP1.94
Rot. Bonds2

About 3-(methylsulfanylmethyl)pyridine

3-(methylsulfanylmethyl)pyridine (PubChem CID 3053474) has the molecular formula C7H9NS and a molecular weight of 139.22 g/mol. Its IUPAC name is 3-(methylsulfanylmethyl)pyridine.

Molecular Properties

Compound Name3-(methylsulfanylmethyl)pyridine
PubChem CID3053474
Molecular FormulaC7H9NS
Molecular Weight139.22 g/mol
Exact Mass139.05
IUPAC Name3-(methylsulfanylmethyl)pyridine
SMILESCSCc1cccnc1
InChIInChI=1S/C7H9NS/c1-9-6-7-3-2-4-8-5-7/h2-5H,6H2,1H3
InChIKeyDMBKVOYJOGETRJ-UHFFFAOYSA-N
XLogP1.94
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfanylmethyl)pyridine?
The IUPAC name of 3-(methylsulfanylmethyl)pyridine (CID 3053474) is 3-(methylsulfanylmethyl)pyridine.
What is the SMILES notation for 3-(methylsulfanylmethyl)pyridine?
The canonical SMILES for 3-(methylsulfanylmethyl)pyridine is CSCc1cccnc1.
What is the InChIKey of 3-(methylsulfanylmethyl)pyridine?
The InChIKey is DMBKVOYJOGETRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NS/c1-9-6-7-3-2-4-8-5-7/h2-5H,6H2,1H3.
What are the key properties of 3-(methylsulfanylmethyl)pyridine?
3-(methylsulfanylmethyl)pyridine has a molecular weight of 139.22 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfanylmethyl)pyridine is sourced from PubChem (CID 3053474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).