5,6-dimethyl-3-propan-2-yl-1H-pyrazine-2-thione

C9H14N2S — CID 106517899

IUPAC5,6-dimethyl-3-propan-2-yl-1H-pyrazine-2-thione
SMILESCc1nc(C(C)C)c(=S)[nH]c1C
InChIInChI=1S/C9H14N2S/c1-5(2)8-9(12)11-7(4)6(3)10-8/h5H,1-4H3,(H,11,12)
InChIKeyGRHLJZTUSDGSFZ-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.88
Rot. Bonds1

About 5,6-dimethyl-3-propan-2-yl-1H-pyrazine-2-thione

5,6-dimethyl-3-propan-2-yl-1H-pyrazine-2-thione (PubChem CID 106517899) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 5,6-dimethyl-3-propan-2-yl-1H-pyrazine-2-thione.

Molecular Properties

Compound Name5,6-dimethyl-3-propan-2-yl-1H-pyrazine-2-thione
PubChem CID106517899
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name5,6-dimethyl-3-propan-2-yl-1H-pyrazine-2-thione
SMILESCc1nc(C(C)C)c(=S)[nH]c1C
InChIInChI=1S/C9H14N2S/c1-5(2)8-9(12)11-7(4)6(3)10-8/h5H,1-4H3,(H,11,12)
InChIKeyGRHLJZTUSDGSFZ-UHFFFAOYSA-N
XLogP2.88
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.88
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 5,6-dimethyl-3-propan-2-yl-1H-pyrazine-2-thione?
The IUPAC name of 5,6-dimethyl-3-propan-2-yl-1H-pyrazine-2-thione (CID 106517899) is 5,6-dimethyl-3-propan-2-yl-1H-pyrazine-2-thione.
What is the SMILES notation for 5,6-dimethyl-3-propan-2-yl-1H-pyrazine-2-thione?
The canonical SMILES for 5,6-dimethyl-3-propan-2-yl-1H-pyrazine-2-thione is Cc1nc(C(C)C)c(=S)[nH]c1C.
What is the InChIKey of 5,6-dimethyl-3-propan-2-yl-1H-pyrazine-2-thione?
The InChIKey is GRHLJZTUSDGSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-5(2)8-9(12)11-7(4)6(3)10-8/h5H,1-4H3,(H,11,12).
What are the key properties of 5,6-dimethyl-3-propan-2-yl-1H-pyrazine-2-thione?
5,6-dimethyl-3-propan-2-yl-1H-pyrazine-2-thione has a molecular weight of 182.29 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-propan-2-yl-1H-pyrazine-2-thione is sourced from PubChem (CID 106517899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).