2-(ethylsulfanylmethyl)pyridine

C8H11NS — CID 11084080

IUPAC2-(ethylsulfanylmethyl)pyridine
SMILESCCSCc1ccccn1
InChIInChI=1S/C8H11NS/c1-2-10-7-8-5-3-4-6-9-8/h3-6H,2,7H2,1H3
InChIKeyDVEPQWYESXJIBN-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.33
Rot. Bonds3

About 2-(ethylsulfanylmethyl)pyridine

2-(ethylsulfanylmethyl)pyridine (PubChem CID 11084080) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 2-(ethylsulfanylmethyl)pyridine.

Molecular Properties

Compound Name2-(ethylsulfanylmethyl)pyridine
PubChem CID11084080
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name2-(ethylsulfanylmethyl)pyridine
SMILESCCSCc1ccccn1
InChIInChI=1S/C8H11NS/c1-2-10-7-8-5-3-4-6-9-8/h3-6H,2,7H2,1H3
InChIKeyDVEPQWYESXJIBN-UHFFFAOYSA-N
XLogP2.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfanylmethyl)pyridine?
The IUPAC name of 2-(ethylsulfanylmethyl)pyridine (CID 11084080) is 2-(ethylsulfanylmethyl)pyridine.
What is the SMILES notation for 2-(ethylsulfanylmethyl)pyridine?
The canonical SMILES for 2-(ethylsulfanylmethyl)pyridine is CCSCc1ccccn1.
What is the InChIKey of 2-(ethylsulfanylmethyl)pyridine?
The InChIKey is DVEPQWYESXJIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-2-10-7-8-5-3-4-6-9-8/h3-6H,2,7H2,1H3.
What are the key properties of 2-(ethylsulfanylmethyl)pyridine?
2-(ethylsulfanylmethyl)pyridine has a molecular weight of 153.25 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfanylmethyl)pyridine is sourced from PubChem (CID 11084080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).