3-ethenyl-2,5,6-trimethyl-4-methylsulfanylpyridine

C11H15NS — CID 169136386

IUPAC3-ethenyl-2,5,6-trimethyl-4-methylsulfanylpyridine
SMILESC=Cc1c(C)nc(C)c(C)c1SC
InChIInChI=1S/C11H15NS/c1-6-10-9(4)12-8(3)7(2)11(10)13-5/h6H,1H2,2-5H3
InChIKeyUVEFPPWYYJJPOW-UHFFFAOYSA-N
MW193.31 g/mol
LogP3.37
Rot. Bonds2

About 3-ethenyl-2,5,6-trimethyl-4-methylsulfanylpyridine

3-ethenyl-2,5,6-trimethyl-4-methylsulfanylpyridine (PubChem CID 169136386) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is 3-ethenyl-2,5,6-trimethyl-4-methylsulfanylpyridine.

Molecular Properties

Compound Name3-ethenyl-2,5,6-trimethyl-4-methylsulfanylpyridine
PubChem CID169136386
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name3-ethenyl-2,5,6-trimethyl-4-methylsulfanylpyridine
SMILESC=Cc1c(C)nc(C)c(C)c1SC
InChIInChI=1S/C11H15NS/c1-6-10-9(4)12-8(3)7(2)11(10)13-5/h6H,1H2,2-5H3
InChIKeyUVEFPPWYYJJPOW-UHFFFAOYSA-N
XLogP3.37
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethenyl-2,4,5,6-tetramethylpyridine
CID 170004195
(3-ethenyl-2,5,6-trimethyl-4-pyridinyl) acetate
CID 163931242
2,4,5,6-tetramethylpyridine-3-carbaldehyde
CID 18734948
4-ethenyl-2,5,6-trimethylpyrimidine
CID 145409646
3-ethenyl-2-methyl-6-methylsulfanylpyridine
CID 102545933
5-ethenyl-4-methyl-1H-pyrimidin-6-one
CID 142197418
7-ethenyl-6,8-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 144500148
6-ethenyl-2,3,4-trimethylpyridine
CID 91244758
2-ethenyl-1,3-bis(methylsulfanyl)benzene
CID 54025667
4,9-bis(ethenyl)-5,10-dimethylpyrido[3,4-g]isoquinoline-1,3,6,8-tetramine
CID 86718708
ethane;2-ethenyl-4-methyl-3-methylsulfanylpyridine
CID 162760152
1-ethenyl-3-methyl-2-methylsulfanyl-4-propan-2-ylbenzene
CID 167114166

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2,5,6-trimethyl-4-methylsulfanylpyridine?
The IUPAC name of 3-ethenyl-2,5,6-trimethyl-4-methylsulfanylpyridine (CID 169136386) is 3-ethenyl-2,5,6-trimethyl-4-methylsulfanylpyridine.
What is the SMILES notation for 3-ethenyl-2,5,6-trimethyl-4-methylsulfanylpyridine?
The canonical SMILES for 3-ethenyl-2,5,6-trimethyl-4-methylsulfanylpyridine is C=Cc1c(C)nc(C)c(C)c1SC.
What is the InChIKey of 3-ethenyl-2,5,6-trimethyl-4-methylsulfanylpyridine?
The InChIKey is UVEFPPWYYJJPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-6-10-9(4)12-8(3)7(2)11(10)13-5/h6H,1H2,2-5H3.
What are the key properties of 3-ethenyl-2,5,6-trimethyl-4-methylsulfanylpyridine?
3-ethenyl-2,5,6-trimethyl-4-methylsulfanylpyridine has a molecular weight of 193.31 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2,5,6-trimethyl-4-methylsulfanylpyridine is sourced from PubChem (CID 169136386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).