2-(furan-2-ylmethylsulfanyl)-4-methylpyridine

C11H11NOS — CID 91863097

IUPAC2-(furan-2-ylmethylsulfanyl)-4-methylpyridine
SMILESCc1ccnc(SCc2ccco2)c1
InChIInChI=1S/C11H11NOS/c1-9-4-5-12-11(7-9)14-8-10-3-2-6-13-10/h2-7H,8H2,1H3
InChIKeyIFLZWELYIKAEHW-UHFFFAOYSA-N
MW205.28 g/mol
LogP3.28
Rot. Bonds3

About 2-(furan-2-ylmethylsulfanyl)-4-methylpyridine

2-(furan-2-ylmethylsulfanyl)-4-methylpyridine (PubChem CID 91863097) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 2-(furan-2-ylmethylsulfanyl)-4-methylpyridine.

Molecular Properties

Compound Name2-(furan-2-ylmethylsulfanyl)-4-methylpyridine
PubChem CID91863097
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name2-(furan-2-ylmethylsulfanyl)-4-methylpyridine
SMILESCc1ccnc(SCc2ccco2)c1
InChIInChI=1S/C11H11NOS/c1-9-4-5-12-11(7-9)14-8-10-3-2-6-13-10/h2-7H,8H2,1H3
InChIKeyIFLZWELYIKAEHW-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(furan-2-ylmethylsulfanyl)-N-propylpyrimidin-2-amine
CID 80893880
N-ethyl-4-(furan-2-ylmethylsulfanyl)-6-methylpyrimidin-2-amine
CID 80893163
4-chloro-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidine
CID 80545886
2-(chloromethyl)-4-(furan-2-ylmethylsulfanyl)pyridine
CID 18689992
N-[[6-(furan-2-ylmethylsulfanyl)-3-pyridinyl]methyl]ethanamine
CID 80639863
3-(furan-2-ylmethylsulfanyl)-4-methylaniline
CID 62588700
[2-tert-butyl-6-(furan-2-ylmethylsulfanyl)pyrimidin-4-yl]hydrazine
CID 80979577
N-ethyl-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidin-4-amine
CID 80893554
4-(furan-2-ylmethylsulfanyl)-2,6-dimethylpyridine-3-carboxylic acid
CID 81053250
1-[6-(furan-2-ylmethylsulfanyl)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80639955
N-(furan-2-ylmethyl)pyrimidin-2-amine
CID 28514232
5-(furan-2-ylmethylsulfanyl)-1H-1,2,4-triazole
CID 68957437

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylsulfanyl)-4-methylpyridine?
The IUPAC name of 2-(furan-2-ylmethylsulfanyl)-4-methylpyridine (CID 91863097) is 2-(furan-2-ylmethylsulfanyl)-4-methylpyridine.
What is the SMILES notation for 2-(furan-2-ylmethylsulfanyl)-4-methylpyridine?
The canonical SMILES for 2-(furan-2-ylmethylsulfanyl)-4-methylpyridine is Cc1ccnc(SCc2ccco2)c1.
What is the InChIKey of 2-(furan-2-ylmethylsulfanyl)-4-methylpyridine?
The InChIKey is IFLZWELYIKAEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-9-4-5-12-11(7-9)14-8-10-3-2-6-13-10/h2-7H,8H2,1H3.
What are the key properties of 2-(furan-2-ylmethylsulfanyl)-4-methylpyridine?
2-(furan-2-ylmethylsulfanyl)-4-methylpyridine has a molecular weight of 205.28 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylsulfanyl)-4-methylpyridine is sourced from PubChem (CID 91863097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).