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

C14H6Br2N2S3 — CID 71722248

IUPAC2,3-dibromo-5,7-dithiophen-2-ylthieno[3,4-b]pyrazine
SMILESBrc1nc2c(-c3cccs3)sc(-c3cccs3)c2nc1Br
InChIInChI=1S/C14H6Br2N2S3/c15-13-14(16)18-10-9(17-13)11(7-3-1-5-19-7)21-12(10)8-4-2-6-20-8/h1-6H
InChIKeyVGGRBEJPHCJOOY-UHFFFAOYSA-N
MW458.23 g/mol
LogP6.67
Rot. Bonds2

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

2,3-dibromo-5,7-dithiophen-2-ylthieno[3,4-b]pyrazine (PubChem CID 71722248) has the molecular formula C14H6Br2N2S3 and a molecular weight of 458.23 g/mol. Its IUPAC name is 2,3-dibromo-5,7-dithiophen-2-ylthieno[3,4-b]pyrazine.

Molecular Properties

Compound Name2,3-dibromo-5,7-dithiophen-2-ylthieno[3,4-b]pyrazine
PubChem CID71722248
Molecular FormulaC14H6Br2N2S3
Molecular Weight458.23 g/mol
Exact Mass455.81
IUPAC Name2,3-dibromo-5,7-dithiophen-2-ylthieno[3,4-b]pyrazine
SMILESBrc1nc2c(-c3cccs3)sc(-c3cccs3)c2nc1Br
InChIInChI=1S/C14H6Br2N2S3/c15-13-14(16)18-10-9(17-13)11(7-3-1-5-19-7)21-12(10)8-4-2-6-20-8/h1-6H
InChIKeyVGGRBEJPHCJOOY-UHFFFAOYSA-N
XLogP6.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.23
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-diethoxy-5,7-dithiophen-2-ylthieno[3,4-b]pyrazine
CID 102108621
2-(5-bromothiophen-2-yl)-4,6-dithiophen-2-yl-1H-thieno[3,4-d]imidazole
CID 101225417
3,6-dibromo-2,5-dithiophen-2-ylthieno[3,2-b]thiophene
CID 100972748
4,6-dithiophen-2-ylthieno[3,4-d]thiadiazole
CID 130318353
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
2-bromo-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid
CID 106510216
4,6-dithiophen-2-yl-1H-thieno[3,4-d]triazole
CID 100936204
4,5-dithiophen-2-yl-1,3-dithiol-2-one
CID 15811354
3,4-ditert-butyl-2,5-dithiophen-2-ylthiophene
CID 15778420
5,7-dithiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dithiine
CID 69411648
2-amino-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid
CID 53271730

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-5,7-dithiophen-2-ylthieno[3,4-b]pyrazine?
The IUPAC name of 2,3-dibromo-5,7-dithiophen-2-ylthieno[3,4-b]pyrazine (CID 71722248) is 2,3-dibromo-5,7-dithiophen-2-ylthieno[3,4-b]pyrazine.
What is the SMILES notation for 2,3-dibromo-5,7-dithiophen-2-ylthieno[3,4-b]pyrazine?
The canonical SMILES for 2,3-dibromo-5,7-dithiophen-2-ylthieno[3,4-b]pyrazine is Brc1nc2c(-c3cccs3)sc(-c3cccs3)c2nc1Br.
What is the InChIKey of 2,3-dibromo-5,7-dithiophen-2-ylthieno[3,4-b]pyrazine?
The InChIKey is VGGRBEJPHCJOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Br2N2S3/c15-13-14(16)18-10-9(17-13)11(7-3-1-5-19-7)21-12(10)8-4-2-6-20-8/h1-6H.
What are the key properties of 2,3-dibromo-5,7-dithiophen-2-ylthieno[3,4-b]pyrazine?
2,3-dibromo-5,7-dithiophen-2-ylthieno[3,4-b]pyrazine has a molecular weight of 458.23 g/mol, XLogP of 6.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-5,7-dithiophen-2-ylthieno[3,4-b]pyrazine is sourced from PubChem (CID 71722248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).