5,6-dimethyl-3-(2-methylpropyl)-1H-pyrazine-2-thione

C10H16N2S — CID 106517862

IUPAC5,6-dimethyl-3-(2-methylpropyl)-1H-pyrazine-2-thione
SMILESCc1nc(CC(C)C)c(=S)[nH]c1C
InChIInChI=1S/C10H16N2S/c1-6(2)5-9-10(13)12-8(4)7(3)11-9/h6H,5H2,1-4H3,(H,12,13)
InChIKeyXOMYBNHOUJWMRV-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.95
Rot. Bonds2

About 5,6-dimethyl-3-(2-methylpropyl)-1H-pyrazine-2-thione

5,6-dimethyl-3-(2-methylpropyl)-1H-pyrazine-2-thione (PubChem CID 106517862) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 5,6-dimethyl-3-(2-methylpropyl)-1H-pyrazine-2-thione.

Molecular Properties

Compound Name5,6-dimethyl-3-(2-methylpropyl)-1H-pyrazine-2-thione
PubChem CID106517862
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name5,6-dimethyl-3-(2-methylpropyl)-1H-pyrazine-2-thione
SMILESCc1nc(CC(C)C)c(=S)[nH]c1C
InChIInChI=1S/C10H16N2S/c1-6(2)5-9-10(13)12-8(4)7(3)11-9/h6H,5H2,1-4H3,(H,12,13)
InChIKeyXOMYBNHOUJWMRV-UHFFFAOYSA-N
XLogP2.95
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-3-propan-2-yl-5-sulfanyl-1H-pyrazine-2-thione
CID 155478862
3-cyclopropyl-5,6-dimethyl-1H-pyrazine-2-thione
CID 106516199
5,6-dimethyl-3-propan-2-yl-1H-pyrazine-2-thione
CID 106517899
3-butyl-5,6-dimethyl-1H-pyrazine-2-thione
CID 106659474

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(2-methylpropyl)-1H-pyrazine-2-thione?
The IUPAC name of 5,6-dimethyl-3-(2-methylpropyl)-1H-pyrazine-2-thione (CID 106517862) is 5,6-dimethyl-3-(2-methylpropyl)-1H-pyrazine-2-thione.
What is the SMILES notation for 5,6-dimethyl-3-(2-methylpropyl)-1H-pyrazine-2-thione?
The canonical SMILES for 5,6-dimethyl-3-(2-methylpropyl)-1H-pyrazine-2-thione is Cc1nc(CC(C)C)c(=S)[nH]c1C.
What is the InChIKey of 5,6-dimethyl-3-(2-methylpropyl)-1H-pyrazine-2-thione?
The InChIKey is XOMYBNHOUJWMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-6(2)5-9-10(13)12-8(4)7(3)11-9/h6H,5H2,1-4H3,(H,12,13).
What are the key properties of 5,6-dimethyl-3-(2-methylpropyl)-1H-pyrazine-2-thione?
5,6-dimethyl-3-(2-methylpropyl)-1H-pyrazine-2-thione has a molecular weight of 196.32 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(2-methylpropyl)-1H-pyrazine-2-thione is sourced from PubChem (CID 106517862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).