4,9-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline

C16H8N4S3 — CID 67384162

IUPAC4,9-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline
SMILESc1csc(-c2c3nccnc3c(-c3cccs3)c3nsnc23)c1
InChIInChI=1S/C16H8N4S3/c1-3-9(21-7-1)11-13-14(18-6-5-17-13)12(10-4-2-8-22-10)16-15(11)19-23-20-16/h1-8H
InChIKeyUFEGJSRIXAMOHZ-UHFFFAOYSA-N
MW352.47 g/mol
LogP5.09
Rot. Bonds2

About 4,9-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline

4,9-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline (PubChem CID 67384162) has the molecular formula C16H8N4S3 and a molecular weight of 352.47 g/mol. Its IUPAC name is 4,9-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline.

Molecular Properties

Compound Name4,9-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline
PubChem CID67384162
Molecular FormulaC16H8N4S3
Molecular Weight352.47 g/mol
Exact Mass351.99
IUPAC Name4,9-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline
SMILESc1csc(-c2c3nccnc3c(-c3cccs3)c3nsnc23)c1
InChIInChI=1S/C16H8N4S3/c1-3-9(21-7-1)11-13-14(18-6-5-17-13)12(10-4-2-8-22-10)16-15(11)19-23-20-16/h1-8H
InChIKeyUFEGJSRIXAMOHZ-UHFFFAOYSA-N
XLogP5.09
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.47
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,9-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline?
The IUPAC name of 4,9-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline (CID 67384162) is 4,9-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline.
What is the SMILES notation for 4,9-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline?
The canonical SMILES for 4,9-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline is c1csc(-c2c3nccnc3c(-c3cccs3)c3nsnc23)c1.
What is the InChIKey of 4,9-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline?
The InChIKey is UFEGJSRIXAMOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8N4S3/c1-3-9(21-7-1)11-13-14(18-6-5-17-13)12(10-4-2-8-22-10)16-15(11)19-23-20-16/h1-8H.
What are the key properties of 4,9-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline?
4,9-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline has a molecular weight of 352.47 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline is sourced from PubChem (CID 67384162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).