3-[5-(methylsulfanylmethyl)furan-2-yl]pyridine

C11H11NOS — CID 11993873

IUPAC3-[5-(methylsulfanylmethyl)furan-2-yl]pyridine
SMILESCSCc1ccc(-c2cccnc2)o1
InChIInChI=1S/C11H11NOS/c1-14-8-10-4-5-11(13-10)9-3-2-6-12-7-9/h2-7H,8H2,1H3
InChIKeyQSLAHFFHHYZNQL-UHFFFAOYSA-N
MW205.28 g/mol
LogP3.20
Rot. Bonds3

About 3-[5-(methylsulfanylmethyl)furan-2-yl]pyridine

3-[5-(methylsulfanylmethyl)furan-2-yl]pyridine (PubChem CID 11993873) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 3-[5-(methylsulfanylmethyl)furan-2-yl]pyridine.

Molecular Properties

Compound Name3-[5-(methylsulfanylmethyl)furan-2-yl]pyridine
PubChem CID11993873
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name3-[5-(methylsulfanylmethyl)furan-2-yl]pyridine
SMILESCSCc1ccc(-c2cccnc2)o1
InChIInChI=1S/C11H11NOS/c1-14-8-10-4-5-11(13-10)9-3-2-6-12-7-9/h2-7H,8H2,1H3
InChIKeyQSLAHFFHHYZNQL-UHFFFAOYSA-N
XLogP3.20
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(methylsulfanylmethyl)furan-2-yl]pyridine?
The IUPAC name of 3-[5-(methylsulfanylmethyl)furan-2-yl]pyridine (CID 11993873) is 3-[5-(methylsulfanylmethyl)furan-2-yl]pyridine.
What is the SMILES notation for 3-[5-(methylsulfanylmethyl)furan-2-yl]pyridine?
The canonical SMILES for 3-[5-(methylsulfanylmethyl)furan-2-yl]pyridine is CSCc1ccc(-c2cccnc2)o1.
What is the InChIKey of 3-[5-(methylsulfanylmethyl)furan-2-yl]pyridine?
The InChIKey is QSLAHFFHHYZNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-14-8-10-4-5-11(13-10)9-3-2-6-12-7-9/h2-7H,8H2,1H3.
What are the key properties of 3-[5-(methylsulfanylmethyl)furan-2-yl]pyridine?
3-[5-(methylsulfanylmethyl)furan-2-yl]pyridine has a molecular weight of 205.28 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(methylsulfanylmethyl)furan-2-yl]pyridine is sourced from PubChem (CID 11993873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).