3-cyclopropyl-5,6-dimethyl-1H-pyrazine-2-thione

C9H12N2S — CID 106516199

IUPAC3-cyclopropyl-5,6-dimethyl-1H-pyrazine-2-thione
SMILESCc1nc(C2CC2)c(=S)[nH]c1C
InChIInChI=1S/C9H12N2S/c1-5-6(2)11-9(12)8(10-5)7-3-4-7/h7H,3-4H2,1-2H3,(H,11,12)
InChIKeyJIQCODISGXJUKV-UHFFFAOYSA-N
MW180.28 g/mol
LogP2.63
Rot. Bonds1

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

3-cyclopropyl-5,6-dimethyl-1H-pyrazine-2-thione (PubChem CID 106516199) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is 3-cyclopropyl-5,6-dimethyl-1H-pyrazine-2-thione.

Molecular Properties

Compound Name3-cyclopropyl-5,6-dimethyl-1H-pyrazine-2-thione
PubChem CID106516199
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name3-cyclopropyl-5,6-dimethyl-1H-pyrazine-2-thione
SMILESCc1nc(C2CC2)c(=S)[nH]c1C
InChIInChI=1S/C9H12N2S/c1-5-6(2)11-9(12)8(10-5)7-3-4-7/h7H,3-4H2,1-2H3,(H,11,12)
InChIKeyJIQCODISGXJUKV-UHFFFAOYSA-N
XLogP2.63
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 52.63
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-cyclopropyl-5,6-dimethyl-1H-pyrazine-2-thione?
The IUPAC name of 3-cyclopropyl-5,6-dimethyl-1H-pyrazine-2-thione (CID 106516199) is 3-cyclopropyl-5,6-dimethyl-1H-pyrazine-2-thione.
What is the SMILES notation for 3-cyclopropyl-5,6-dimethyl-1H-pyrazine-2-thione?
The canonical SMILES for 3-cyclopropyl-5,6-dimethyl-1H-pyrazine-2-thione is Cc1nc(C2CC2)c(=S)[nH]c1C.
What is the InChIKey of 3-cyclopropyl-5,6-dimethyl-1H-pyrazine-2-thione?
The InChIKey is JIQCODISGXJUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S/c1-5-6(2)11-9(12)8(10-5)7-3-4-7/h7H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 3-cyclopropyl-5,6-dimethyl-1H-pyrazine-2-thione?
3-cyclopropyl-5,6-dimethyl-1H-pyrazine-2-thione has a molecular weight of 180.28 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5,6-dimethyl-1H-pyrazine-2-thione is sourced from PubChem (CID 106516199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).