3,6-dibromo-2,5-dithiophen-2-ylthieno[3,2-b]thiophene

C14H6Br2S4 — CID 100972748

IUPAC3,6-dibromo-2,5-dithiophen-2-ylthieno[3,2-b]thiophene
SMILESBrc1c(-c2cccs2)sc2c(Br)c(-c3cccs3)sc12
InChIInChI=1S/C14H6Br2S4/c15-9-11(7-3-1-5-17-7)19-14-10(16)12(20-13(9)14)8-4-2-6-18-8/h1-6H
InChIKeyAQQHMQLGPBUXNK-UHFFFAOYSA-N
MW462.28 g/mol
LogP7.94
Rot. Bonds2

About 3,6-dibromo-2,5-dithiophen-2-ylthieno[3,2-b]thiophene

3,6-dibromo-2,5-dithiophen-2-ylthieno[3,2-b]thiophene (PubChem CID 100972748) has the molecular formula C14H6Br2S4 and a molecular weight of 462.28 g/mol. Its IUPAC name is 3,6-dibromo-2,5-dithiophen-2-ylthieno[3,2-b]thiophene.

Molecular Properties

Compound Name3,6-dibromo-2,5-dithiophen-2-ylthieno[3,2-b]thiophene
PubChem CID100972748
Molecular FormulaC14H6Br2S4
Molecular Weight462.28 g/mol
Exact Mass459.77
IUPAC Name3,6-dibromo-2,5-dithiophen-2-ylthieno[3,2-b]thiophene
SMILESBrc1c(-c2cccs2)sc2c(Br)c(-c3cccs3)sc12
InChIInChI=1S/C14H6Br2S4/c15-9-11(7-3-1-5-17-7)19-14-10(16)12(20-13(9)14)8-4-2-6-18-8/h1-6H
InChIKeyAQQHMQLGPBUXNK-UHFFFAOYSA-N
XLogP7.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.28
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dibromo-5,7-dithiophen-2-ylthieno[3,4-b]pyrazine
CID 71722248
4,5-dithiophen-2-yl-1,3-dithiol-2-one
CID 15811354
2,5-dithiophen-2-ylthiophene-3,4-dithiol
CID 101208801
3,4-dibromo-2-[2-(2-thiophen-2-ylthiophen-3-yl)thiophen-3-yl]thiophene
CID 68932468
2-bromo-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid
CID 106510216
3,4-ditert-butyl-2,5-dithiophen-2-ylthiophene
CID 15778420
2,3-dibromo-5-thiophen-2-ylthiophene
CID 24796079
5-bromo-4,6-dithiophen-2-ylpyrimidine
CID 134693324
5,7-dithiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dithiine
CID 69411648
2,3-dithiophen-2-ylthiophene;2,5-dithiophen-2-ylthiophene
CID 161253410
2-(3,5-dibromophenyl)thiophene
CID 19006176
2-bromothiophene;2,5-dibromothiophene
CID 158267440

Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-2,5-dithiophen-2-ylthieno[3,2-b]thiophene?
The IUPAC name of 3,6-dibromo-2,5-dithiophen-2-ylthieno[3,2-b]thiophene (CID 100972748) is 3,6-dibromo-2,5-dithiophen-2-ylthieno[3,2-b]thiophene.
What is the SMILES notation for 3,6-dibromo-2,5-dithiophen-2-ylthieno[3,2-b]thiophene?
The canonical SMILES for 3,6-dibromo-2,5-dithiophen-2-ylthieno[3,2-b]thiophene is Brc1c(-c2cccs2)sc2c(Br)c(-c3cccs3)sc12.
What is the InChIKey of 3,6-dibromo-2,5-dithiophen-2-ylthieno[3,2-b]thiophene?
The InChIKey is AQQHMQLGPBUXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Br2S4/c15-9-11(7-3-1-5-17-7)19-14-10(16)12(20-13(9)14)8-4-2-6-18-8/h1-6H.
What are the key properties of 3,6-dibromo-2,5-dithiophen-2-ylthieno[3,2-b]thiophene?
3,6-dibromo-2,5-dithiophen-2-ylthieno[3,2-b]thiophene has a molecular weight of 462.28 g/mol, XLogP of 7.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-2,5-dithiophen-2-ylthieno[3,2-b]thiophene is sourced from PubChem (CID 100972748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).