3-methylsulfanyl-2-methylsulfonylpyridine

C7H9NO2S2 — CID 23436875

IUPAC3-methylsulfanyl-2-methylsulfonylpyridine
SMILESCSc1cccnc1S(C)(=O)=O
InChIInChI=1S/C7H9NO2S2/c1-11-6-4-3-5-8-7(6)12(2,9)10/h3-5H,1-2H3
InChIKeyUJVMADRZVSJOIN-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.21
Rot. Bonds2

About 3-methylsulfanyl-2-methylsulfonylpyridine

3-methylsulfanyl-2-methylsulfonylpyridine (PubChem CID 23436875) has the molecular formula C7H9NO2S2 and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-methylsulfanyl-2-methylsulfonylpyridine.

Molecular Properties

Compound Name3-methylsulfanyl-2-methylsulfonylpyridine
PubChem CID23436875
Molecular FormulaC7H9NO2S2
Molecular Weight203.29 g/mol
Exact Mass203.01
IUPAC Name3-methylsulfanyl-2-methylsulfonylpyridine
SMILESCSc1cccnc1S(C)(=O)=O
InChIInChI=1S/C7H9NO2S2/c1-11-6-4-3-5-8-7(6)12(2,9)10/h3-5H,1-2H3
InChIKeyUJVMADRZVSJOIN-UHFFFAOYSA-N
XLogP1.21
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-2-methylsulfonylpyridine?
The IUPAC name of 3-methylsulfanyl-2-methylsulfonylpyridine (CID 23436875) is 3-methylsulfanyl-2-methylsulfonylpyridine.
What is the SMILES notation for 3-methylsulfanyl-2-methylsulfonylpyridine?
The canonical SMILES for 3-methylsulfanyl-2-methylsulfonylpyridine is CSc1cccnc1S(C)(=O)=O.
What is the InChIKey of 3-methylsulfanyl-2-methylsulfonylpyridine?
The InChIKey is UJVMADRZVSJOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S2/c1-11-6-4-3-5-8-7(6)12(2,9)10/h3-5H,1-2H3.
What are the key properties of 3-methylsulfanyl-2-methylsulfonylpyridine?
3-methylsulfanyl-2-methylsulfonylpyridine has a molecular weight of 203.29 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-2-methylsulfonylpyridine is sourced from PubChem (CID 23436875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).