4-tert-butyl-2-tert-butylsulfanylpyridine

C13H21NS — CID 597348

IUPAC4-tert-butyl-2-tert-butylsulfanylpyridine
SMILESCC(C)(C)Sc1cc(C(C)(C)C)ccn1
InChIInChI=1S/C13H21NS/c1-12(2,3)10-7-8-14-11(9-10)15-13(4,5)6/h7-9H,1-6H3
InChIKeyXBWSTVPXZTUJJG-UHFFFAOYSA-N
MW223.38 g/mol
LogP4.27
Rot. Bonds1

About 4-tert-butyl-2-tert-butylsulfanylpyridine

4-tert-butyl-2-tert-butylsulfanylpyridine (PubChem CID 597348) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 4-tert-butyl-2-tert-butylsulfanylpyridine.

Molecular Properties

Compound Name4-tert-butyl-2-tert-butylsulfanylpyridine
PubChem CID597348
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name4-tert-butyl-2-tert-butylsulfanylpyridine
SMILESCC(C)(C)Sc1cc(C(C)(C)C)ccn1
InChIInChI=1S/C13H21NS/c1-12(2,3)10-7-8-14-11(9-10)15-13(4,5)6/h7-9H,1-6H3
InChIKeyXBWSTVPXZTUJJG-UHFFFAOYSA-N
XLogP4.27
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-tert-butylsulfanylpyridine?
The IUPAC name of 4-tert-butyl-2-tert-butylsulfanylpyridine (CID 597348) is 4-tert-butyl-2-tert-butylsulfanylpyridine.
What is the SMILES notation for 4-tert-butyl-2-tert-butylsulfanylpyridine?
The canonical SMILES for 4-tert-butyl-2-tert-butylsulfanylpyridine is CC(C)(C)Sc1cc(C(C)(C)C)ccn1.
What is the InChIKey of 4-tert-butyl-2-tert-butylsulfanylpyridine?
The InChIKey is XBWSTVPXZTUJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-12(2,3)10-7-8-14-11(9-10)15-13(4,5)6/h7-9H,1-6H3.
What are the key properties of 4-tert-butyl-2-tert-butylsulfanylpyridine?
4-tert-butyl-2-tert-butylsulfanylpyridine has a molecular weight of 223.38 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-tert-butylsulfanylpyridine is sourced from PubChem (CID 597348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).