2-tert-butylsulfinylpyrazine

C8H12N2OS — CID 10655092

IUPAC2-tert-butylsulfinylpyrazine
SMILESCC(C)(C)S(=O)c1cnccn1
InChIInChI=1S/C8H12N2OS/c1-8(2,3)12(11)7-6-9-4-5-10-7/h4-6H,1-3H3
InChIKeySFMXCWBZPXXEMC-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.38
Rot. Bonds1

About 2-tert-butylsulfinylpyrazine

2-tert-butylsulfinylpyrazine (PubChem CID 10655092) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-tert-butylsulfinylpyrazine.

Molecular Properties

Compound Name2-tert-butylsulfinylpyrazine
PubChem CID10655092
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name2-tert-butylsulfinylpyrazine
SMILESCC(C)(C)S(=O)c1cnccn1
InChIInChI=1S/C8H12N2OS/c1-8(2,3)12(11)7-6-9-4-5-10-7/h4-6H,1-3H3
InChIKeySFMXCWBZPXXEMC-UHFFFAOYSA-N
XLogP1.38
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfinylpyrazine?
The IUPAC name of 2-tert-butylsulfinylpyrazine (CID 10655092) is 2-tert-butylsulfinylpyrazine.
What is the SMILES notation for 2-tert-butylsulfinylpyrazine?
The canonical SMILES for 2-tert-butylsulfinylpyrazine is CC(C)(C)S(=O)c1cnccn1.
What is the InChIKey of 2-tert-butylsulfinylpyrazine?
The InChIKey is SFMXCWBZPXXEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-8(2,3)12(11)7-6-9-4-5-10-7/h4-6H,1-3H3.
What are the key properties of 2-tert-butylsulfinylpyrazine?
2-tert-butylsulfinylpyrazine has a molecular weight of 184.26 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfinylpyrazine is sourced from PubChem (CID 10655092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).