3-quinoxalin-2-yl-1H-quinoxaline-2-thione

C16H10N4S — CID 14881081

IUPAC3-quinoxalin-2-yl-1H-quinoxaline-2-thione
SMILESS=c1[nH]c2ccccc2nc1-c1cnc2ccccc2n1
InChIInChI=1S/C16H10N4S/c21-16-15(19-12-7-3-4-8-13(12)20-16)14-9-17-10-5-1-2-6-11(10)18-14/h1-9H,(H,20,21)
InChIKeyDZZRWMBSDLIRIP-UHFFFAOYSA-N
MW290.35 g/mol
LogP3.90
Rot. Bonds1

About 3-quinoxalin-2-yl-1H-quinoxaline-2-thione

3-quinoxalin-2-yl-1H-quinoxaline-2-thione (PubChem CID 14881081) has the molecular formula C16H10N4S and a molecular weight of 290.35 g/mol. Its IUPAC name is 3-quinoxalin-2-yl-1H-quinoxaline-2-thione.

Molecular Properties

Compound Name3-quinoxalin-2-yl-1H-quinoxaline-2-thione
PubChem CID14881081
Molecular FormulaC16H10N4S
Molecular Weight290.35 g/mol
Exact Mass290.06
IUPAC Name3-quinoxalin-2-yl-1H-quinoxaline-2-thione
SMILESS=c1[nH]c2ccccc2nc1-c1cnc2ccccc2n1
InChIInChI=1S/C16H10N4S/c21-16-15(19-12-7-3-4-8-13(12)20-16)14-9-17-10-5-1-2-6-11(10)18-14/h1-9H,(H,20,21)
InChIKeyDZZRWMBSDLIRIP-UHFFFAOYSA-N
XLogP3.90
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3-quinoxalin-2-yl-1H-quinoxaline-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-3-quinoxalin-2-ylquinoxaline
CID 171905215
4-quinoxalin-2-yl-2,5-dihydropyridazino[4,5-b]indol-1-one
CID 135900468
3-propan-2-yl-1H-quinoxaline-2-thione
CID 119082099
2-[2-(1H-benzimidazol-2-yl)propan-2-yl]-1H-benzimidazole
CID 66628016
CID 88913467
CID 88913467
2-(5-methylthiophen-2-yl)quinoxaline
CID 10680762
2-(1H-benzimidazol-2-yl)quinoline
CID 646533
2-quinoxalin-2-yl-3H-benzimidazole-5-carbonitrile
CID 107356609
2-(3H-benzimidazol-5-yl)quinoxaline
CID 126589483
2-[6-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]-3-pyridinyl]-1H-benzimidazole
CID 12045900
zinc;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;dichloride
CID 16721057
2-(3,5-dimethoxyphenyl)quinoxaline
CID 102112241

Frequently Asked Questions

What is the IUPAC name of 3-quinoxalin-2-yl-1H-quinoxaline-2-thione?
The IUPAC name of 3-quinoxalin-2-yl-1H-quinoxaline-2-thione (CID 14881081) is 3-quinoxalin-2-yl-1H-quinoxaline-2-thione.
What is the SMILES notation for 3-quinoxalin-2-yl-1H-quinoxaline-2-thione?
The canonical SMILES for 3-quinoxalin-2-yl-1H-quinoxaline-2-thione is S=c1[nH]c2ccccc2nc1-c1cnc2ccccc2n1.
What is the InChIKey of 3-quinoxalin-2-yl-1H-quinoxaline-2-thione?
The InChIKey is DZZRWMBSDLIRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4S/c21-16-15(19-12-7-3-4-8-13(12)20-16)14-9-17-10-5-1-2-6-11(10)18-14/h1-9H,(H,20,21).
What are the key properties of 3-quinoxalin-2-yl-1H-quinoxaline-2-thione?
3-quinoxalin-2-yl-1H-quinoxaline-2-thione has a molecular weight of 290.35 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinoxalin-2-yl-1H-quinoxaline-2-thione is sourced from PubChem (CID 14881081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).