2-[(Z)-3-methylsulfanylbut-2-en-2-yl]pyridine

C10H13NS — CID 138698703

IUPAC2-[(Z)-3-methylsulfanylbut-2-en-2-yl]pyridine
SMILESCS/C(C)=C(/C)c1ccccn1
InChIInChI=1S/C10H13NS/c1-8(9(2)12-3)10-6-4-5-7-11-10/h4-7H,1-3H3/b9-8-
InChIKeyXKLNJMOTYIDEOI-HJWRWDBZSA-N
MW179.29 g/mol
LogP3.20
Rot. Bonds2

About 2-[(Z)-3-methylsulfanylbut-2-en-2-yl]pyridine

2-[(Z)-3-methylsulfanylbut-2-en-2-yl]pyridine (PubChem CID 138698703) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 2-[(Z)-3-methylsulfanylbut-2-en-2-yl]pyridine.

Molecular Properties

Compound Name2-[(Z)-3-methylsulfanylbut-2-en-2-yl]pyridine
PubChem CID138698703
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name2-[(Z)-3-methylsulfanylbut-2-en-2-yl]pyridine
SMILESCS/C(C)=C(/C)c1ccccn1
InChIInChI=1S/C10H13NS/c1-8(9(2)12-3)10-6-4-5-7-11-10/h4-7H,1-3H3/b9-8-
InChIKeyXKLNJMOTYIDEOI-HJWRWDBZSA-N
XLogP3.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3-methylsulfanylbut-2-en-2-yl]pyridine?
The IUPAC name of 2-[(Z)-3-methylsulfanylbut-2-en-2-yl]pyridine (CID 138698703) is 2-[(Z)-3-methylsulfanylbut-2-en-2-yl]pyridine.
What is the SMILES notation for 2-[(Z)-3-methylsulfanylbut-2-en-2-yl]pyridine?
The canonical SMILES for 2-[(Z)-3-methylsulfanylbut-2-en-2-yl]pyridine is CS/C(C)=C(/C)c1ccccn1.
What is the InChIKey of 2-[(Z)-3-methylsulfanylbut-2-en-2-yl]pyridine?
The InChIKey is XKLNJMOTYIDEOI-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H13NS/c1-8(9(2)12-3)10-6-4-5-7-11-10/h4-7H,1-3H3/b9-8-.
What are the key properties of 2-[(Z)-3-methylsulfanylbut-2-en-2-yl]pyridine?
2-[(Z)-3-methylsulfanylbut-2-en-2-yl]pyridine has a molecular weight of 179.29 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3-methylsulfanylbut-2-en-2-yl]pyridine is sourced from PubChem (CID 138698703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).