3,5,6-trimethyl-1H-pyrazine-2-thione

C7H10N2S — CID 71434546

IUPAC3,5,6-trimethyl-1H-pyrazine-2-thione
SMILESCc1nc(C)c(=S)[nH]c1C
InChIInChI=1S/C7H10N2S/c1-4-5(2)9-7(10)6(3)8-4/h1-3H3,(H,9,10)
InChIKeyLHVKHMOLTUTFCM-UHFFFAOYSA-N
MW154.24 g/mol
LogP2.06
Rot. Bonds

About 3,5,6-trimethyl-1H-pyrazine-2-thione

3,5,6-trimethyl-1H-pyrazine-2-thione (PubChem CID 71434546) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 3,5,6-trimethyl-1H-pyrazine-2-thione.

Molecular Properties

Compound Name3,5,6-trimethyl-1H-pyrazine-2-thione
PubChem CID71434546
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name3,5,6-trimethyl-1H-pyrazine-2-thione
SMILESCc1nc(C)c(=S)[nH]c1C
InChIInChI=1S/C7H10N2S/c1-4-5(2)9-7(10)6(3)8-4/h1-3H3,(H,9,10)
InChIKeyLHVKHMOLTUTFCM-UHFFFAOYSA-N
XLogP2.06
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5,6-trimethyl-1H-pyrazine-2-thione?
The IUPAC name of 3,5,6-trimethyl-1H-pyrazine-2-thione (CID 71434546) is 3,5,6-trimethyl-1H-pyrazine-2-thione.
What is the SMILES notation for 3,5,6-trimethyl-1H-pyrazine-2-thione?
The canonical SMILES for 3,5,6-trimethyl-1H-pyrazine-2-thione is Cc1nc(C)c(=S)[nH]c1C.
What is the InChIKey of 3,5,6-trimethyl-1H-pyrazine-2-thione?
The InChIKey is LHVKHMOLTUTFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c1-4-5(2)9-7(10)6(3)8-4/h1-3H3,(H,9,10).
What are the key properties of 3,5,6-trimethyl-1H-pyrazine-2-thione?
3,5,6-trimethyl-1H-pyrazine-2-thione has a molecular weight of 154.24 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trimethyl-1H-pyrazine-2-thione is sourced from PubChem (CID 71434546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).