6-methyl-1H-quinoxaline-2-thione

C9H8N2S — CID 141227322

IUPAC6-methyl-1H-quinoxaline-2-thione
SMILESCc1ccc2[nH]c(=S)cnc2c1
InChIInChI=1S/C9H8N2S/c1-6-2-3-7-8(4-6)10-5-9(12)11-7/h2-5H,1H3,(H,11,12)
InChIKeyCZEGVIHKRQPUOU-UHFFFAOYSA-N
MW176.24 g/mol
LogP2.60
Rot. Bonds

About 6-methyl-1H-quinoxaline-2-thione

6-methyl-1H-quinoxaline-2-thione (PubChem CID 141227322) has the molecular formula C9H8N2S and a molecular weight of 176.24 g/mol. Its IUPAC name is 6-methyl-1H-quinoxaline-2-thione.

Molecular Properties

Compound Name6-methyl-1H-quinoxaline-2-thione
PubChem CID141227322
Molecular FormulaC9H8N2S
Molecular Weight176.24 g/mol
Exact Mass176.04
IUPAC Name6-methyl-1H-quinoxaline-2-thione
SMILESCc1ccc2[nH]c(=S)cnc2c1
InChIInChI=1S/C9H8N2S/c1-6-2-3-7-8(4-6)10-5-9(12)11-7/h2-5H,1H3,(H,11,12)
InChIKeyCZEGVIHKRQPUOU-UHFFFAOYSA-N
XLogP2.60
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 52.60
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

7-methyl-1H-quinoxalin-2-one
CID 583114
7-methyl-3H-[1,3]oxazolo[4,5-c]quinolin-2-one
CID 22765637
6-(2-methyl-1H-imidazol-5-yl)-1H-quinoxalin-2-one
CID 167066942
3,6-dimethyl-9H-carbazole
CID 144942624
2,7-dimethylquinoxaline;ethane
CID 142320596
7-methyl-3,4-dihydro-1H-imidazo[4,5-b]indole-2-thione
CID 146945423
7-methyl-3-(2-methyl-1H-imidazol-5-yl)quinoline
CID 90181938
6-methyl-1H-quinoline-4-thione
CID 12621648
2-fluoro-7-methylquinoxaline
CID 10678555
6-methyl-9H-pyrido[3,4-b]indol-3-amine
CID 115021046
2-(4-methylphenyl)-1H-pyrrolo[3,2-b]pyridine
CID 84676205
5-(4-methylphenyl)-1H-pyrazine-2-thione
CID 130743730

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1H-quinoxaline-2-thione?
The IUPAC name of 6-methyl-1H-quinoxaline-2-thione (CID 141227322) is 6-methyl-1H-quinoxaline-2-thione.
What is the SMILES notation for 6-methyl-1H-quinoxaline-2-thione?
The canonical SMILES for 6-methyl-1H-quinoxaline-2-thione is Cc1ccc2[nH]c(=S)cnc2c1.
What is the InChIKey of 6-methyl-1H-quinoxaline-2-thione?
The InChIKey is CZEGVIHKRQPUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2S/c1-6-2-3-7-8(4-6)10-5-9(12)11-7/h2-5H,1H3,(H,11,12).
What are the key properties of 6-methyl-1H-quinoxaline-2-thione?
6-methyl-1H-quinoxaline-2-thione has a molecular weight of 176.24 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1H-quinoxaline-2-thione is sourced from PubChem (CID 141227322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).