3,6-dibromo-2,5-dimethylthieno[3,2-b]thiophene

C8H6Br2S2 — CID 10758461

IUPAC3,6-dibromo-2,5-dimethylthieno[3,2-b]thiophene
SMILESCc1sc2c(Br)c(C)sc2c1Br
InChIInChI=1S/C8H6Br2S2/c1-3-5(9)7-8(11-3)6(10)4(2)12-7/h1-2H3
InChIKeyDPQSVSOOYUNFKC-UHFFFAOYSA-N
MW326.08 g/mol
LogP5.10
Rot. Bonds

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

3,6-dibromo-2,5-dimethylthieno[3,2-b]thiophene (PubChem CID 10758461) has the molecular formula C8H6Br2S2 and a molecular weight of 326.08 g/mol. Its IUPAC name is 3,6-dibromo-2,5-dimethylthieno[3,2-b]thiophene.

Molecular Properties

Compound Name3,6-dibromo-2,5-dimethylthieno[3,2-b]thiophene
PubChem CID10758461
Molecular FormulaC8H6Br2S2
Molecular Weight326.08 g/mol
Exact Mass323.83
IUPAC Name3,6-dibromo-2,5-dimethylthieno[3,2-b]thiophene
SMILESCc1sc2c(Br)c(C)sc2c1Br
InChIInChI=1S/C8H6Br2S2/c1-3-5(9)7-8(11-3)6(10)4(2)12-7/h1-2H3
InChIKeyDPQSVSOOYUNFKC-UHFFFAOYSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.08
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,5,6-Tetrabromothieno[3,2-b]thiophene
CID 2762568
2,5-Dibromothieno(3,2-b)thiophene
CID 3597455
3,6-Dibromothieno(3,2-b)thiophene
CID 10613979
2,3,5-Tribromothieno(3,2-b)thiophene
CID 1211733
3,3'-Dibromo-5,5'-dimethyl-[2,2']bithiophenyl
CID 6426448
3,6-Dibromo-2,5-bis(methylsulfanyl)thieno[3,2-b]thiophene
CID 10739123
2,5-Dibromo-3,6-dimethylthieno[3,2-b]thiophene
CID 12240561
2,3,5,6-Tetrabromoselenopheno[3,2-b]thiophene
CID 12543638
3-Bromo-4-(4-bromo-2,5-dimethylthiophen-3-yl)-2,5-dimethylthiophene
CID 57088251
3,6-Dibromo-2,5-diiodothieno[3,2-b]thiophene
CID 102457308
2-Bromo-5-octylthieno[3,2-b]thiophene
CID 135070626
3-Bromo-2-(3-bromo-4,5-dimethylthiophen-2-yl)-4,5-dimethylthiophene
CID 1811879

Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-2,5-dimethylthieno[3,2-b]thiophene?
The IUPAC name of 3,6-dibromo-2,5-dimethylthieno[3,2-b]thiophene (CID 10758461) is 3,6-dibromo-2,5-dimethylthieno[3,2-b]thiophene.
What is the SMILES notation for 3,6-dibromo-2,5-dimethylthieno[3,2-b]thiophene?
The canonical SMILES for 3,6-dibromo-2,5-dimethylthieno[3,2-b]thiophene is Cc1sc2c(Br)c(C)sc2c1Br.
What is the InChIKey of 3,6-dibromo-2,5-dimethylthieno[3,2-b]thiophene?
The InChIKey is DPQSVSOOYUNFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2S2/c1-3-5(9)7-8(11-3)6(10)4(2)12-7/h1-2H3.
What are the key properties of 3,6-dibromo-2,5-dimethylthieno[3,2-b]thiophene?
3,6-dibromo-2,5-dimethylthieno[3,2-b]thiophene has a molecular weight of 326.08 g/mol, XLogP of 5.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-2,5-dimethylthieno[3,2-b]thiophene is sourced from PubChem (CID 10758461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).