ethane;2-ethenyl-4-methyl-3-methylsulfanylpyridine

C11H17NS — CID 162760152

IUPACethane;2-ethenyl-4-methyl-3-methylsulfanylpyridine
SMILESC=Cc1nccc(C)c1SC.CC
InChIInChI=1S/C9H11NS.C2H6/c1-4-8-9(11-3)7(2)5-6-10-8;1-2/h4-6H,1H2,2-3H3;1-2H3
InChIKeyYZYVNLCUTYVUMW-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.78
Rot. Bonds2

About ethane;2-ethenyl-4-methyl-3-methylsulfanylpyridine

ethane;2-ethenyl-4-methyl-3-methylsulfanylpyridine (PubChem CID 162760152) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is ethane;2-ethenyl-4-methyl-3-methylsulfanylpyridine.

Molecular Properties

Compound Nameethane;2-ethenyl-4-methyl-3-methylsulfanylpyridine
PubChem CID162760152
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Nameethane;2-ethenyl-4-methyl-3-methylsulfanylpyridine
SMILESC=Cc1nccc(C)c1SC.CC
InChIInChI=1S/C9H11NS.C2H6/c1-4-8-9(11-3)7(2)5-6-10-8;1-2/h4-6H,1H2,2-3H3;1-2H3
InChIKeyYZYVNLCUTYVUMW-UHFFFAOYSA-N
XLogP3.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-bis(ethenyl)-4-methylpyridine;ethane;propane
CID 155736263
(2-ethenyl-4-methyl-3-pyridinyl)methanol
CID 74888484
CID 163488204
CID 163488204
4-(1,1-difluoroethyl)-2-ethenylpyridin-3-amine
CID 144756952
ethane;3-ethenyl-2-methylsulfanylpyridine
CID 157029026
2-ethenyl-4-nitropyridin-3-amine
CID 74891834
N-(4-chloro-2-ethenyl-3-pyridinyl)methanimine
CID 144514793
2,3-bis(ethenyl)pyridin-4-amine
CID 142923190
3-ethenyl-2-ethoxy-4-methylpyridine
CID 74889642
ethane;7-methyl-[1,2]oxazolo[4,5-b]pyridine
CID 143976601
3-ethenyl-4-methyl-2-nitropyridine
CID 74888397
2-ethenylpyridin-3-amine
CID 19847965

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethenyl-4-methyl-3-methylsulfanylpyridine?
The IUPAC name of ethane;2-ethenyl-4-methyl-3-methylsulfanylpyridine (CID 162760152) is ethane;2-ethenyl-4-methyl-3-methylsulfanylpyridine.
What is the SMILES notation for ethane;2-ethenyl-4-methyl-3-methylsulfanylpyridine?
The canonical SMILES for ethane;2-ethenyl-4-methyl-3-methylsulfanylpyridine is C=Cc1nccc(C)c1SC.CC.
What is the InChIKey of ethane;2-ethenyl-4-methyl-3-methylsulfanylpyridine?
The InChIKey is YZYVNLCUTYVUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS.C2H6/c1-4-8-9(11-3)7(2)5-6-10-8;1-2/h4-6H,1H2,2-3H3;1-2H3.
What are the key properties of ethane;2-ethenyl-4-methyl-3-methylsulfanylpyridine?
ethane;2-ethenyl-4-methyl-3-methylsulfanylpyridine has a molecular weight of 195.33 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethenyl-4-methyl-3-methylsulfanylpyridine is sourced from PubChem (CID 162760152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).