1H-quinoxaline-2-thione

C8H6N2S — CID 2763605

IUPAC1H-quinoxaline-2-thione
SMILESS=c1cnc2ccccc2[nH]1
InChIInChI=1S/C8H6N2S/c11-8-5-9-6-3-1-2-4-7(6)10-8/h1-5H,(H,10,11)
InChIKeyINQXGZFDGDSRIF-UHFFFAOYSA-N
MW162.22 g/mol
LogP2.29
Rot. Bonds

About 1H-quinoxaline-2-thione

1H-quinoxaline-2-thione (PubChem CID 2763605) has the molecular formula C8H6N2S and a molecular weight of 162.22 g/mol. Its IUPAC name is 1H-quinoxaline-2-thione.

Molecular Properties

Compound Name1H-quinoxaline-2-thione
PubChem CID2763605
Molecular FormulaC8H6N2S
Molecular Weight162.22 g/mol
Exact Mass162.03
IUPAC Name1H-quinoxaline-2-thione
SMILESS=c1cnc2ccccc2[nH]1
InChIInChI=1S/C8H6N2S/c11-8-5-9-6-3-1-2-4-7(6)10-8/h1-5H,(H,10,11)
InChIKeyINQXGZFDGDSRIF-UHFFFAOYSA-N
XLogP2.29
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.22
LogP ≤ 52.29
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 1H-quinoxaline-2-thione?
The IUPAC name of 1H-quinoxaline-2-thione (CID 2763605) is 1H-quinoxaline-2-thione.
What is the SMILES notation for 1H-quinoxaline-2-thione?
The canonical SMILES for 1H-quinoxaline-2-thione is S=c1cnc2ccccc2[nH]1.
What is the InChIKey of 1H-quinoxaline-2-thione?
The InChIKey is INQXGZFDGDSRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2S/c11-8-5-9-6-3-1-2-4-7(6)10-8/h1-5H,(H,10,11).
What are the key properties of 1H-quinoxaline-2-thione?
1H-quinoxaline-2-thione has a molecular weight of 162.22 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-quinoxaline-2-thione is sourced from PubChem (CID 2763605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).