2,3-diethoxy-5,7-dithiophen-2-ylthieno[3,4-b]pyrazine

C18H16N2O2S3 — CID 102108621

IUPAC2,3-diethoxy-5,7-dithiophen-2-ylthieno[3,4-b]pyrazine
SMILESCCOc1nc2c(-c3cccs3)sc(-c3cccs3)c2nc1OCC
InChIInChI=1S/C18H16N2O2S3/c1-3-21-17-18(22-4-2)20-14-13(19-17)15(11-7-5-9-23-11)25-16(14)12-8-6-10-24-12/h5-10H,3-4H2,1-2H3
InChIKeyZKRKFTRNHISUPE-UHFFFAOYSA-N
MW388.54 g/mol
LogP5.95
Rot. Bonds6

About 2,3-diethoxy-5,7-dithiophen-2-ylthieno[3,4-b]pyrazine

2,3-diethoxy-5,7-dithiophen-2-ylthieno[3,4-b]pyrazine (PubChem CID 102108621) has the molecular formula C18H16N2O2S3 and a molecular weight of 388.54 g/mol. Its IUPAC name is 2,3-diethoxy-5,7-dithiophen-2-ylthieno[3,4-b]pyrazine.

Molecular Properties

Compound Name2,3-diethoxy-5,7-dithiophen-2-ylthieno[3,4-b]pyrazine
PubChem CID102108621
Molecular FormulaC18H16N2O2S3
Molecular Weight388.54 g/mol
Exact Mass388.04
IUPAC Name2,3-diethoxy-5,7-dithiophen-2-ylthieno[3,4-b]pyrazine
SMILESCCOc1nc2c(-c3cccs3)sc(-c3cccs3)c2nc1OCC
InChIInChI=1S/C18H16N2O2S3/c1-3-21-17-18(22-4-2)20-14-13(19-17)15(11-7-5-9-23-11)25-16(14)12-8-6-10-24-12/h5-10H,3-4H2,1-2H3
InChIKeyZKRKFTRNHISUPE-UHFFFAOYSA-N
XLogP5.95
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.54
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2,3-dibromo-5,7-dithiophen-2-ylthieno[3,4-b]pyrazine
CID 71722248
2-ethoxy-6-thiophen-2-ylsulfanylpyridin-3-amine
CID 43262852
2-methyl-5-thiophen-2-ylthiophene;propane
CID 142257628
2-ethoxy-4-(4-fluorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile
CID 10969383
3-(2-ethoxy-6-methyl-3-pyridinyl)-5-thiophen-2-yl-1,2,4-oxadiazole
CID 852898
3-ethylperoxy-2-thiophen-2-ylthiophene
CID 141423205
4,6-dithiophen-2-ylthieno[3,4-d]thiadiazole
CID 130318353
diethyl 1,3-dithiophen-2-ylbenzo[f][2]benzothiole-6,7-dicarboxylate
CID 44556988
2,5-dithiophen-2-ylthiophene-3,4-dithiol
CID 101208801
4,6-dithiophen-2-yl-2-(trifluoromethyl)thieno[3,4-d][1,3]thiazole
CID 153405820
3,4-ditert-butyl-2,5-dithiophen-2-ylthiophene
CID 15778420
4,6-dithiophen-2-yl-1H-thieno[3,4-d]triazole
CID 100936204

Frequently Asked Questions

What is the IUPAC name of 2,3-diethoxy-5,7-dithiophen-2-ylthieno[3,4-b]pyrazine?
The IUPAC name of 2,3-diethoxy-5,7-dithiophen-2-ylthieno[3,4-b]pyrazine (CID 102108621) is 2,3-diethoxy-5,7-dithiophen-2-ylthieno[3,4-b]pyrazine.
What is the SMILES notation for 2,3-diethoxy-5,7-dithiophen-2-ylthieno[3,4-b]pyrazine?
The canonical SMILES for 2,3-diethoxy-5,7-dithiophen-2-ylthieno[3,4-b]pyrazine is CCOc1nc2c(-c3cccs3)sc(-c3cccs3)c2nc1OCC.
What is the InChIKey of 2,3-diethoxy-5,7-dithiophen-2-ylthieno[3,4-b]pyrazine?
The InChIKey is ZKRKFTRNHISUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S3/c1-3-21-17-18(22-4-2)20-14-13(19-17)15(11-7-5-9-23-11)25-16(14)12-8-6-10-24-12/h5-10H,3-4H2,1-2H3.
What are the key properties of 2,3-diethoxy-5,7-dithiophen-2-ylthieno[3,4-b]pyrazine?
2,3-diethoxy-5,7-dithiophen-2-ylthieno[3,4-b]pyrazine has a molecular weight of 388.54 g/mol, XLogP of 5.95, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethoxy-5,7-dithiophen-2-ylthieno[3,4-b]pyrazine is sourced from PubChem (CID 102108621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).