2,3-bis(tert-butylsulfanyl)pyrazine

C12H20N2S2 — CID 71334433

IUPAC2,3-bis(tert-butylsulfanyl)pyrazine
SMILESCC(C)(C)Sc1nccnc1SC(C)(C)C
InChIInChI=1S/C12H20N2S2/c1-11(2,3)15-9-10(14-8-7-13-9)16-12(4,5)6/h7-8H,1-6H3
InChIKeyKXTVWLMLJYFNJS-UHFFFAOYSA-N
MW256.44 g/mol
LogP4.26
Rot. Bonds2

About 2,3-bis(tert-butylsulfanyl)pyrazine

2,3-bis(tert-butylsulfanyl)pyrazine (PubChem CID 71334433) has the molecular formula C12H20N2S2 and a molecular weight of 256.44 g/mol. Its IUPAC name is 2,3-bis(tert-butylsulfanyl)pyrazine.

Molecular Properties

Compound Name2,3-bis(tert-butylsulfanyl)pyrazine
PubChem CID71334433
Molecular FormulaC12H20N2S2
Molecular Weight256.44 g/mol
Exact Mass256.11
IUPAC Name2,3-bis(tert-butylsulfanyl)pyrazine
SMILESCC(C)(C)Sc1nccnc1SC(C)(C)C
InChIInChI=1S/C12H20N2S2/c1-11(2,3)15-9-10(14-8-7-13-9)16-12(4,5)6/h7-8H,1-6H3
InChIKeyKXTVWLMLJYFNJS-UHFFFAOYSA-N
XLogP4.26
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(tert-butylsulfanyl)pyrazine?
The IUPAC name of 2,3-bis(tert-butylsulfanyl)pyrazine (CID 71334433) is 2,3-bis(tert-butylsulfanyl)pyrazine.
What is the SMILES notation for 2,3-bis(tert-butylsulfanyl)pyrazine?
The canonical SMILES for 2,3-bis(tert-butylsulfanyl)pyrazine is CC(C)(C)Sc1nccnc1SC(C)(C)C.
What is the InChIKey of 2,3-bis(tert-butylsulfanyl)pyrazine?
The InChIKey is KXTVWLMLJYFNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S2/c1-11(2,3)15-9-10(14-8-7-13-9)16-12(4,5)6/h7-8H,1-6H3.
What are the key properties of 2,3-bis(tert-butylsulfanyl)pyrazine?
2,3-bis(tert-butylsulfanyl)pyrazine has a molecular weight of 256.44 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(tert-butylsulfanyl)pyrazine is sourced from PubChem (CID 71334433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).