2,6-bis(1-methylsulfanylethyl)pyridine

C11H17NS2 — CID 90287547

IUPAC2,6-bis(1-methylsulfanylethyl)pyridine
SMILESCSC(C)c1cccc(C(C)SC)n1
InChIInChI=1S/C11H17NS2/c1-8(13-3)10-6-5-7-11(12-10)9(2)14-4/h5-9H,1-4H3
InChIKeyCWDHBPYUMSHENF-UHFFFAOYSA-N
MW227.40 g/mol
LogP3.93
Rot. Bonds4

About 2,6-bis(1-methylsulfanylethyl)pyridine

2,6-bis(1-methylsulfanylethyl)pyridine (PubChem CID 90287547) has the molecular formula C11H17NS2 and a molecular weight of 227.40 g/mol. Its IUPAC name is 2,6-bis(1-methylsulfanylethyl)pyridine.

Molecular Properties

Compound Name2,6-bis(1-methylsulfanylethyl)pyridine
PubChem CID90287547
Molecular FormulaC11H17NS2
Molecular Weight227.40 g/mol
Exact Mass227.08
IUPAC Name2,6-bis(1-methylsulfanylethyl)pyridine
SMILESCSC(C)c1cccc(C(C)SC)n1
InChIInChI=1S/C11H17NS2/c1-8(13-3)10-6-5-7-11(12-10)9(2)14-4/h5-9H,1-4H3
InChIKeyCWDHBPYUMSHENF-UHFFFAOYSA-N
XLogP3.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-6-(1-methylsulfanylethyl)pyridine
CID 126590909
2-(2-methoxyethoxy)-6-(1-methylsulfanylethyl)pyridine
CID 126603068
2-methyl-6-propan-2-ylpyridine
CID 12791785
1-methyl-3-(1-methylsulfanylethyl)pyrazole
CID 138460770
[[6-[bis(propan-2-ylphosphanyl)methyl]-2-pyridinyl]-propan-2-ylphosphanylmethyl]-propan-2-ylphosphane
CID 101416785
1,3-di(propan-2-yl)benzene;2,6-di(propan-2-yl)pyridine
CID 158378690
2-[bis(6-methyl-2-pyridinyl)methyl]-6-methylpyridine
CID 15421087
2,6-bis(difluoromethyl)pyridine
CID 68586040
1,2-dimethyl-3-(1-methylsulfanylethyl)benzene
CID 86182436
2-[(1R)-1-methoxyethyl]-6-propan-2-ylpyridine
CID 142501240
(6-propan-2-yl-2-pyridinyl)methanamine
CID 59570017
2-(1-methylsulfanylethyl)-6-propan-2-ylphenol
CID 170547306

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(1-methylsulfanylethyl)pyridine?
The IUPAC name of 2,6-bis(1-methylsulfanylethyl)pyridine (CID 90287547) is 2,6-bis(1-methylsulfanylethyl)pyridine.
What is the SMILES notation for 2,6-bis(1-methylsulfanylethyl)pyridine?
The canonical SMILES for 2,6-bis(1-methylsulfanylethyl)pyridine is CSC(C)c1cccc(C(C)SC)n1.
What is the InChIKey of 2,6-bis(1-methylsulfanylethyl)pyridine?
The InChIKey is CWDHBPYUMSHENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS2/c1-8(13-3)10-6-5-7-11(12-10)9(2)14-4/h5-9H,1-4H3.
What are the key properties of 2,6-bis(1-methylsulfanylethyl)pyridine?
2,6-bis(1-methylsulfanylethyl)pyridine has a molecular weight of 227.40 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(1-methylsulfanylethyl)pyridine is sourced from PubChem (CID 90287547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).