5-bromo-1H-pyrazine-2-thione

C4H3BrN2S — CID 55276486

IUPAC5-bromo-1H-pyrazine-2-thione
SMILESS=c1cnc(Br)c[nH]1
InChIInChI=1S/C4H3BrN2S/c5-3-1-7-4(8)2-6-3/h1-2H,(H,7,8)
InChIKeyUAOQQYXZEDSMJM-UHFFFAOYSA-N
MW191.05 g/mol
LogP1.90
Rot. Bonds

About 5-bromo-1H-pyrazine-2-thione

5-bromo-1H-pyrazine-2-thione (PubChem CID 55276486) has the molecular formula C4H3BrN2S and a molecular weight of 191.05 g/mol. Its IUPAC name is 5-bromo-1H-pyrazine-2-thione.

Molecular Properties

Compound Name5-bromo-1H-pyrazine-2-thione
PubChem CID55276486
Molecular FormulaC4H3BrN2S
Molecular Weight191.05 g/mol
Exact Mass189.92
IUPAC Name5-bromo-1H-pyrazine-2-thione
SMILESS=c1cnc(Br)c[nH]1
InChIInChI=1S/C4H3BrN2S/c5-3-1-7-4(8)2-6-3/h1-2H,(H,7,8)
InChIKeyUAOQQYXZEDSMJM-UHFFFAOYSA-N
XLogP1.90
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.05
LogP ≤ 51.90
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-bromo-1H-pyrazine-2-thione?
The IUPAC name of 5-bromo-1H-pyrazine-2-thione (CID 55276486) is 5-bromo-1H-pyrazine-2-thione.
What is the SMILES notation for 5-bromo-1H-pyrazine-2-thione?
The canonical SMILES for 5-bromo-1H-pyrazine-2-thione is S=c1cnc(Br)c[nH]1.
What is the InChIKey of 5-bromo-1H-pyrazine-2-thione?
The InChIKey is UAOQQYXZEDSMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3BrN2S/c5-3-1-7-4(8)2-6-3/h1-2H,(H,7,8).
What are the key properties of 5-bromo-1H-pyrazine-2-thione?
5-bromo-1H-pyrazine-2-thione has a molecular weight of 191.05 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1H-pyrazine-2-thione is sourced from PubChem (CID 55276486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).