2-methylsulfanyl-5-[(E)-2-(6-methylsulfanyl-3-pyridinyl)ethenyl]pyridine

C14H14N2S2 — CID 134995314

IUPAC2-methylsulfanyl-5-[(E)-2-(6-methylsulfanyl-3-pyridinyl)ethenyl]pyridine
SMILESCSc1ccc(/C=C/c2ccc(SC)nc2)cn1
InChIInChI=1S/C14H14N2S2/c1-17-13-7-5-11(9-15-13)3-4-12-6-8-14(18-2)16-10-12/h3-10H,1-2H3/b4-3+
InChIKeyRESXGIKPXAMJSU-ONEGZZNKSA-N
MW274.41 g/mol
LogP4.09
Rot. Bonds4

About 2-methylsulfanyl-5-[(E)-2-(6-methylsulfanyl-3-pyridinyl)ethenyl]pyridine

2-methylsulfanyl-5-[(E)-2-(6-methylsulfanyl-3-pyridinyl)ethenyl]pyridine (PubChem CID 134995314) has the molecular formula C14H14N2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-methylsulfanyl-5-[(E)-2-(6-methylsulfanyl-3-pyridinyl)ethenyl]pyridine.

Molecular Properties

Compound Name2-methylsulfanyl-5-[(E)-2-(6-methylsulfanyl-3-pyridinyl)ethenyl]pyridine
PubChem CID134995314
Molecular FormulaC14H14N2S2
Molecular Weight274.41 g/mol
Exact Mass274.06
IUPAC Name2-methylsulfanyl-5-[(E)-2-(6-methylsulfanyl-3-pyridinyl)ethenyl]pyridine
SMILESCSc1ccc(/C=C/c2ccc(SC)nc2)cn1
InChIInChI=1S/C14H14N2S2/c1-17-13-7-5-11(9-15-13)3-4-12-6-8-14(18-2)16-10-12/h3-10H,1-2H3/b4-3+
InChIKeyRESXGIKPXAMJSU-ONEGZZNKSA-N
XLogP4.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-5-[(E)-2-(6-methylsulfanyl-3-pyridinyl)ethenyl]pyridine?
The IUPAC name of 2-methylsulfanyl-5-[(E)-2-(6-methylsulfanyl-3-pyridinyl)ethenyl]pyridine (CID 134995314) is 2-methylsulfanyl-5-[(E)-2-(6-methylsulfanyl-3-pyridinyl)ethenyl]pyridine.
What is the SMILES notation for 2-methylsulfanyl-5-[(E)-2-(6-methylsulfanyl-3-pyridinyl)ethenyl]pyridine?
The canonical SMILES for 2-methylsulfanyl-5-[(E)-2-(6-methylsulfanyl-3-pyridinyl)ethenyl]pyridine is CSc1ccc(/C=C/c2ccc(SC)nc2)cn1.
What is the InChIKey of 2-methylsulfanyl-5-[(E)-2-(6-methylsulfanyl-3-pyridinyl)ethenyl]pyridine?
The InChIKey is RESXGIKPXAMJSU-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H14N2S2/c1-17-13-7-5-11(9-15-13)3-4-12-6-8-14(18-2)16-10-12/h3-10H,1-2H3/b4-3+.
What are the key properties of 2-methylsulfanyl-5-[(E)-2-(6-methylsulfanyl-3-pyridinyl)ethenyl]pyridine?
2-methylsulfanyl-5-[(E)-2-(6-methylsulfanyl-3-pyridinyl)ethenyl]pyridine has a molecular weight of 274.41 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-5-[(E)-2-(6-methylsulfanyl-3-pyridinyl)ethenyl]pyridine is sourced from PubChem (CID 134995314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).