2-methyl-3-propan-2-ylsulfanylpyrazine

C8H12N2S — CID 3023105

IUPAC2-methyl-3-propan-2-ylsulfanylpyrazine
SMILESCc1nccnc1SC(C)C
InChIInChI=1S/C8H12N2S/c1-6(2)11-8-7(3)9-4-5-10-8/h4-6H,1-3H3
InChIKeyLBAWRXUDKBOJMP-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.29
Rot. Bonds2

About 2-methyl-3-propan-2-ylsulfanylpyrazine

2-methyl-3-propan-2-ylsulfanylpyrazine (PubChem CID 3023105) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 2-methyl-3-propan-2-ylsulfanylpyrazine.

Molecular Properties

Compound Name2-methyl-3-propan-2-ylsulfanylpyrazine
PubChem CID3023105
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name2-methyl-3-propan-2-ylsulfanylpyrazine
SMILESCc1nccnc1SC(C)C
InChIInChI=1S/C8H12N2S/c1-6(2)11-8-7(3)9-4-5-10-8/h4-6H,1-3H3
InChIKeyLBAWRXUDKBOJMP-UHFFFAOYSA-N
XLogP2.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-propan-2-ylsulfanylpyrazine?
The IUPAC name of 2-methyl-3-propan-2-ylsulfanylpyrazine (CID 3023105) is 2-methyl-3-propan-2-ylsulfanylpyrazine.
What is the SMILES notation for 2-methyl-3-propan-2-ylsulfanylpyrazine?
The canonical SMILES for 2-methyl-3-propan-2-ylsulfanylpyrazine is Cc1nccnc1SC(C)C.
What is the InChIKey of 2-methyl-3-propan-2-ylsulfanylpyrazine?
The InChIKey is LBAWRXUDKBOJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-6(2)11-8-7(3)9-4-5-10-8/h4-6H,1-3H3.
What are the key properties of 2-methyl-3-propan-2-ylsulfanylpyrazine?
2-methyl-3-propan-2-ylsulfanylpyrazine has a molecular weight of 168.26 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propan-2-ylsulfanylpyrazine is sourced from PubChem (CID 3023105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).