ethane;3-ethenyl-2-methylsulfanylpyridine

C10H15NS — CID 157029026

IUPACethane;3-ethenyl-2-methylsulfanylpyridine
SMILESC=Cc1cccnc1SC.CC
InChIInChI=1S/C8H9NS.C2H6/c1-3-7-5-4-6-9-8(7)10-2;1-2/h3-6H,1H2,2H3;1-2H3
InChIKeyXFNLCLIUKJGONS-UHFFFAOYSA-N
MW181.30 g/mol
LogP3.47
Rot. Bonds2

About ethane;3-ethenyl-2-methylsulfanylpyridine

ethane;3-ethenyl-2-methylsulfanylpyridine (PubChem CID 157029026) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is ethane;3-ethenyl-2-methylsulfanylpyridine.

Molecular Properties

Compound Nameethane;3-ethenyl-2-methylsulfanylpyridine
PubChem CID157029026
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Nameethane;3-ethenyl-2-methylsulfanylpyridine
SMILESC=Cc1cccnc1SC.CC
InChIInChI=1S/C8H9NS.C2H6/c1-3-7-5-4-6-9-8(7)10-2;1-2/h3-6H,1H2,2H3;1-2H3
InChIKeyXFNLCLIUKJGONS-UHFFFAOYSA-N
XLogP3.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-ethenyl-2-methylsulfanylpyridine?
The IUPAC name of ethane;3-ethenyl-2-methylsulfanylpyridine (CID 157029026) is ethane;3-ethenyl-2-methylsulfanylpyridine.
What is the SMILES notation for ethane;3-ethenyl-2-methylsulfanylpyridine?
The canonical SMILES for ethane;3-ethenyl-2-methylsulfanylpyridine is C=Cc1cccnc1SC.CC.
What is the InChIKey of ethane;3-ethenyl-2-methylsulfanylpyridine?
The InChIKey is XFNLCLIUKJGONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS.C2H6/c1-3-7-5-4-6-9-8(7)10-2;1-2/h3-6H,1H2,2H3;1-2H3.
What are the key properties of ethane;3-ethenyl-2-methylsulfanylpyridine?
ethane;3-ethenyl-2-methylsulfanylpyridine has a molecular weight of 181.30 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethenyl-2-methylsulfanylpyridine is sourced from PubChem (CID 157029026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).