2,6-bis(ethylsulfanylmethyl)pyridine

C11H17NS2 — CID 15911202

IUPAC2,6-bis(ethylsulfanylmethyl)pyridine
SMILESCCSCc1cccc(CSCC)n1
InChIInChI=1S/C11H17NS2/c1-3-13-8-10-6-5-7-11(12-10)9-14-4-2/h5-7H,3-4,8-9H2,1-2H3
InChIKeyPZJOKSNRXMHAJS-UHFFFAOYSA-N
MW227.40 g/mol
LogP3.59
Rot. Bonds6

About 2,6-bis(ethylsulfanylmethyl)pyridine

2,6-bis(ethylsulfanylmethyl)pyridine (PubChem CID 15911202) has the molecular formula C11H17NS2 and a molecular weight of 227.40 g/mol. Its IUPAC name is 2,6-bis(ethylsulfanylmethyl)pyridine.

Molecular Properties

Compound Name2,6-bis(ethylsulfanylmethyl)pyridine
PubChem CID15911202
Molecular FormulaC11H17NS2
Molecular Weight227.40 g/mol
Exact Mass227.08
IUPAC Name2,6-bis(ethylsulfanylmethyl)pyridine
SMILESCCSCc1cccc(CSCC)n1
InChIInChI=1S/C11H17NS2/c1-3-13-8-10-6-5-7-11(12-10)9-14-4-2/h5-7H,3-4,8-9H2,1-2H3
InChIKeyPZJOKSNRXMHAJS-UHFFFAOYSA-N
XLogP3.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(ethylsulfanylmethyl)pyridine?
The IUPAC name of 2,6-bis(ethylsulfanylmethyl)pyridine (CID 15911202) is 2,6-bis(ethylsulfanylmethyl)pyridine.
What is the SMILES notation for 2,6-bis(ethylsulfanylmethyl)pyridine?
The canonical SMILES for 2,6-bis(ethylsulfanylmethyl)pyridine is CCSCc1cccc(CSCC)n1.
What is the InChIKey of 2,6-bis(ethylsulfanylmethyl)pyridine?
The InChIKey is PZJOKSNRXMHAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS2/c1-3-13-8-10-6-5-7-11(12-10)9-14-4-2/h5-7H,3-4,8-9H2,1-2H3.
What are the key properties of 2,6-bis(ethylsulfanylmethyl)pyridine?
2,6-bis(ethylsulfanylmethyl)pyridine has a molecular weight of 227.40 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(ethylsulfanylmethyl)pyridine is sourced from PubChem (CID 15911202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).