4,5-bis(ethenyl)-2-methylsulfanylpyridine;ethane

C14H23NS — CID 144755326

IUPAC4,5-bis(ethenyl)-2-methylsulfanylpyridine;ethane
SMILESC=Cc1cnc(SC)cc1C=C.CC.CC
InChIInChI=1S/C10H11NS.2C2H6/c1-4-8-6-10(12-3)11-7-9(8)5-2;2*1-2/h4-7H,1-2H2,3H3;2*1-2H3
InChIKeyBOTCUNPQIBOLFE-UHFFFAOYSA-N
MW237.41 g/mol
LogP5.14
Rot. Bonds3

About 4,5-bis(ethenyl)-2-methylsulfanylpyridine;ethane

4,5-bis(ethenyl)-2-methylsulfanylpyridine;ethane (PubChem CID 144755326) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 4,5-bis(ethenyl)-2-methylsulfanylpyridine;ethane.

Molecular Properties

Compound Name4,5-bis(ethenyl)-2-methylsulfanylpyridine;ethane
PubChem CID144755326
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name4,5-bis(ethenyl)-2-methylsulfanylpyridine;ethane
SMILESC=Cc1cnc(SC)cc1C=C.CC.CC
InChIInChI=1S/C10H11NS.2C2H6/c1-4-8-6-10(12-3)11-7-9(8)5-2;2*1-2/h4-7H,1-2H2,3H3;2*1-2H3
InChIKeyBOTCUNPQIBOLFE-UHFFFAOYSA-N
XLogP5.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500237.41
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(ethenyl)-2-methylsulfanylpyridine;ethane?
The IUPAC name of 4,5-bis(ethenyl)-2-methylsulfanylpyridine;ethane (CID 144755326) is 4,5-bis(ethenyl)-2-methylsulfanylpyridine;ethane.
What is the SMILES notation for 4,5-bis(ethenyl)-2-methylsulfanylpyridine;ethane?
The canonical SMILES for 4,5-bis(ethenyl)-2-methylsulfanylpyridine;ethane is C=Cc1cnc(SC)cc1C=C.CC.CC.
What is the InChIKey of 4,5-bis(ethenyl)-2-methylsulfanylpyridine;ethane?
The InChIKey is BOTCUNPQIBOLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS.2C2H6/c1-4-8-6-10(12-3)11-7-9(8)5-2;2*1-2/h4-7H,1-2H2,3H3;2*1-2H3.
What are the key properties of 4,5-bis(ethenyl)-2-methylsulfanylpyridine;ethane?
4,5-bis(ethenyl)-2-methylsulfanylpyridine;ethane has a molecular weight of 237.41 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(ethenyl)-2-methylsulfanylpyridine;ethane is sourced from PubChem (CID 144755326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).