6-bromo-2,3-dithiophen-2-ylquinoxaline

C16H9BrN2S2 — CID 130199488

IUPAC6-bromo-2,3-dithiophen-2-ylquinoxaline
SMILESBrc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1
InChIInChI=1S/C16H9BrN2S2/c17-10-5-6-11-12(9-10)19-16(14-4-2-8-21-14)15(18-11)13-3-1-7-20-13/h1-9H
InChIKeyRTSBXLLHQJVOTI-UHFFFAOYSA-N
MW373.30 g/mol
LogP5.85
Rot. Bonds2

About 6-bromo-2,3-dithiophen-2-ylquinoxaline

6-bromo-2,3-dithiophen-2-ylquinoxaline (PubChem CID 130199488) has the molecular formula C16H9BrN2S2 and a molecular weight of 373.30 g/mol. Its IUPAC name is 6-bromo-2,3-dithiophen-2-ylquinoxaline.

Molecular Properties

Compound Name6-bromo-2,3-dithiophen-2-ylquinoxaline
PubChem CID130199488
Molecular FormulaC16H9BrN2S2
Molecular Weight373.30 g/mol
Exact Mass371.94
IUPAC Name6-bromo-2,3-dithiophen-2-ylquinoxaline
SMILESBrc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1
InChIInChI=1S/C16H9BrN2S2/c17-10-5-6-11-12(9-10)19-16(14-4-2-8-21-14)15(18-11)13-3-1-7-20-13/h1-9H
InChIKeyRTSBXLLHQJVOTI-UHFFFAOYSA-N
XLogP5.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.30
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,3-dithiophen-2-ylquinoxaline?
The IUPAC name of 6-bromo-2,3-dithiophen-2-ylquinoxaline (CID 130199488) is 6-bromo-2,3-dithiophen-2-ylquinoxaline.
What is the SMILES notation for 6-bromo-2,3-dithiophen-2-ylquinoxaline?
The canonical SMILES for 6-bromo-2,3-dithiophen-2-ylquinoxaline is Brc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1.
What is the InChIKey of 6-bromo-2,3-dithiophen-2-ylquinoxaline?
The InChIKey is RTSBXLLHQJVOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrN2S2/c17-10-5-6-11-12(9-10)19-16(14-4-2-8-21-14)15(18-11)13-3-1-7-20-13/h1-9H.
What are the key properties of 6-bromo-2,3-dithiophen-2-ylquinoxaline?
6-bromo-2,3-dithiophen-2-ylquinoxaline has a molecular weight of 373.30 g/mol, XLogP of 5.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,3-dithiophen-2-ylquinoxaline is sourced from PubChem (CID 130199488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).