5,6-dichloro-1H-pyrazine-2-thione

C4H2Cl2N2S — CID 144798433

IUPAC5,6-dichloro-1H-pyrazine-2-thione
SMILESS=c1cnc(Cl)c(Cl)[nH]1
InChIInChI=1S/C4H2Cl2N2S/c5-3-4(6)8-2(9)1-7-3/h1H,(H,8,9)
InChIKeyARYNGMABROPEHV-UHFFFAOYSA-N
MW181.05 g/mol
LogP2.45
Rot. Bonds

About 5,6-dichloro-1H-pyrazine-2-thione

5,6-dichloro-1H-pyrazine-2-thione (PubChem CID 144798433) has the molecular formula C4H2Cl2N2S and a molecular weight of 181.05 g/mol. Its IUPAC name is 5,6-dichloro-1H-pyrazine-2-thione.

Molecular Properties

Compound Name5,6-dichloro-1H-pyrazine-2-thione
PubChem CID144798433
Molecular FormulaC4H2Cl2N2S
Molecular Weight181.05 g/mol
Exact Mass179.93
IUPAC Name5,6-dichloro-1H-pyrazine-2-thione
SMILESS=c1cnc(Cl)c(Cl)[nH]1
InChIInChI=1S/C4H2Cl2N2S/c5-3-4(6)8-2(9)1-7-3/h1H,(H,8,9)
InChIKeyARYNGMABROPEHV-UHFFFAOYSA-N
XLogP2.45
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.05
LogP ≤ 52.45
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-dichloro-1H-pyrazine-2-thione?
The IUPAC name of 5,6-dichloro-1H-pyrazine-2-thione (CID 144798433) is 5,6-dichloro-1H-pyrazine-2-thione.
What is the SMILES notation for 5,6-dichloro-1H-pyrazine-2-thione?
The canonical SMILES for 5,6-dichloro-1H-pyrazine-2-thione is S=c1cnc(Cl)c(Cl)[nH]1.
What is the InChIKey of 5,6-dichloro-1H-pyrazine-2-thione?
The InChIKey is ARYNGMABROPEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Cl2N2S/c5-3-4(6)8-2(9)1-7-3/h1H,(H,8,9).
What are the key properties of 5,6-dichloro-1H-pyrazine-2-thione?
5,6-dichloro-1H-pyrazine-2-thione has a molecular weight of 181.05 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-1H-pyrazine-2-thione is sourced from PubChem (CID 144798433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).