2,6-bis(ethylsulfanyl)pyridine

C9H13NS2 — CID 45116407

IUPAC2,6-bis(ethylsulfanyl)pyridine
SMILESCCSc1cccc(SCC)n1
InChIInChI=1S/C9H13NS2/c1-3-11-8-6-5-7-9(10-8)12-4-2/h5-7H,3-4H2,1-2H3
InChIKeyNIKBUTMQFWPEKE-UHFFFAOYSA-N
MW199.34 g/mol
LogP3.31
Rot. Bonds4

About 2,6-bis(ethylsulfanyl)pyridine

2,6-bis(ethylsulfanyl)pyridine (PubChem CID 45116407) has the molecular formula C9H13NS2 and a molecular weight of 199.34 g/mol. Its IUPAC name is 2,6-bis(ethylsulfanyl)pyridine.

Molecular Properties

Compound Name2,6-bis(ethylsulfanyl)pyridine
PubChem CID45116407
Molecular FormulaC9H13NS2
Molecular Weight199.34 g/mol
Exact Mass199.05
IUPAC Name2,6-bis(ethylsulfanyl)pyridine
SMILESCCSc1cccc(SCC)n1
InChIInChI=1S/C9H13NS2/c1-3-11-8-6-5-7-9(10-8)12-4-2/h5-7H,3-4H2,1-2H3
InChIKeyNIKBUTMQFWPEKE-UHFFFAOYSA-N
XLogP3.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(ethylsulfanyl)pyridine?
The IUPAC name of 2,6-bis(ethylsulfanyl)pyridine (CID 45116407) is 2,6-bis(ethylsulfanyl)pyridine.
What is the SMILES notation for 2,6-bis(ethylsulfanyl)pyridine?
The canonical SMILES for 2,6-bis(ethylsulfanyl)pyridine is CCSc1cccc(SCC)n1.
What is the InChIKey of 2,6-bis(ethylsulfanyl)pyridine?
The InChIKey is NIKBUTMQFWPEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS2/c1-3-11-8-6-5-7-9(10-8)12-4-2/h5-7H,3-4H2,1-2H3.
What are the key properties of 2,6-bis(ethylsulfanyl)pyridine?
2,6-bis(ethylsulfanyl)pyridine has a molecular weight of 199.34 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(ethylsulfanyl)pyridine is sourced from PubChem (CID 45116407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).