2,6-bis(tert-butylsulfanylmethyl)pyridine

C15H25NS2 — CID 15911204

IUPAC2,6-bis(tert-butylsulfanylmethyl)pyridine
SMILESCC(C)(C)SCc1cccc(CSC(C)(C)C)n1
InChIInChI=1S/C15H25NS2/c1-14(2,3)17-10-12-8-7-9-13(16-12)11-18-15(4,5)6/h7-9H,10-11H2,1-6H3
InChIKeyQSILOJAKKCCOAK-UHFFFAOYSA-N
MW283.51 g/mol
LogP5.14
Rot. Bonds4

About 2,6-bis(tert-butylsulfanylmethyl)pyridine

2,6-bis(tert-butylsulfanylmethyl)pyridine (PubChem CID 15911204) has the molecular formula C15H25NS2 and a molecular weight of 283.51 g/mol. Its IUPAC name is 2,6-bis(tert-butylsulfanylmethyl)pyridine.

Molecular Properties

Compound Name2,6-bis(tert-butylsulfanylmethyl)pyridine
PubChem CID15911204
Molecular FormulaC15H25NS2
Molecular Weight283.51 g/mol
Exact Mass283.14
IUPAC Name2,6-bis(tert-butylsulfanylmethyl)pyridine
SMILESCC(C)(C)SCc1cccc(CSC(C)(C)C)n1
InChIInChI=1S/C15H25NS2/c1-14(2,3)17-10-12-8-7-9-13(16-12)11-18-15(4,5)6/h7-9H,10-11H2,1-6H3
InChIKeyQSILOJAKKCCOAK-UHFFFAOYSA-N
XLogP5.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.51
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(tert-butylsulfanylmethyl)pyridine?
The IUPAC name of 2,6-bis(tert-butylsulfanylmethyl)pyridine (CID 15911204) is 2,6-bis(tert-butylsulfanylmethyl)pyridine.
What is the SMILES notation for 2,6-bis(tert-butylsulfanylmethyl)pyridine?
The canonical SMILES for 2,6-bis(tert-butylsulfanylmethyl)pyridine is CC(C)(C)SCc1cccc(CSC(C)(C)C)n1.
What is the InChIKey of 2,6-bis(tert-butylsulfanylmethyl)pyridine?
The InChIKey is QSILOJAKKCCOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS2/c1-14(2,3)17-10-12-8-7-9-13(16-12)11-18-15(4,5)6/h7-9H,10-11H2,1-6H3.
What are the key properties of 2,6-bis(tert-butylsulfanylmethyl)pyridine?
2,6-bis(tert-butylsulfanylmethyl)pyridine has a molecular weight of 283.51 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(tert-butylsulfanylmethyl)pyridine is sourced from PubChem (CID 15911204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).