3,5,6-tribromo-2-(3,5-dimethylphenyl)thieno[3,2-b]thiophene

C14H9Br3S2 — CID 102361689

IUPAC3,5,6-tribromo-2-(3,5-dimethylphenyl)thieno[3,2-b]thiophene
SMILESCc1cc(C)cc(-c2sc3c(Br)c(Br)sc3c2Br)c1
InChIInChI=1S/C14H9Br3S2/c1-6-3-7(2)5-8(4-6)11-9(15)12-13(18-11)10(16)14(17)19-12/h3-5H,1-2H3
InChIKeyOEBCBIQPXLLGGT-UHFFFAOYSA-N
MW481.07 g/mol
LogP7.53
Rot. Bonds1

About 3,5,6-tribromo-2-(3,5-dimethylphenyl)thieno[3,2-b]thiophene

3,5,6-tribromo-2-(3,5-dimethylphenyl)thieno[3,2-b]thiophene (PubChem CID 102361689) has the molecular formula C14H9Br3S2 and a molecular weight of 481.07 g/mol. Its IUPAC name is 3,5,6-tribromo-2-(3,5-dimethylphenyl)thieno[3,2-b]thiophene.

Molecular Properties

Compound Name3,5,6-tribromo-2-(3,5-dimethylphenyl)thieno[3,2-b]thiophene
PubChem CID102361689
Molecular FormulaC14H9Br3S2
Molecular Weight481.07 g/mol
Exact Mass477.77
IUPAC Name3,5,6-tribromo-2-(3,5-dimethylphenyl)thieno[3,2-b]thiophene
SMILESCc1cc(C)cc(-c2sc3c(Br)c(Br)sc3c2Br)c1
InChIInChI=1S/C14H9Br3S2/c1-6-3-7(2)5-8(4-6)11-9(15)12-13(18-11)10(16)14(17)19-12/h3-5H,1-2H3
InChIKeyOEBCBIQPXLLGGT-UHFFFAOYSA-N
XLogP7.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.07
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dibromo-2,5-bis(3,5-dimethylphenyl)thiophene
CID 71445384
2,3,5,6-tetrabromothieno[3,2-b]thiophene
CID 2762568
5,12-dibromo-4,11-bis[3-bromo-5-(4-methylphenyl)thiophen-2-yl]-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene
CID 58339775
5,6-dibromo-3-methylthieno[3,2-b]thiophene
CID 176591761
5,12-dibromo-4,11-bis(3-iodo-5-methylthiophen-2-yl)-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene
CID 58339830
1-[5-(3,5-dimethylphenyl)-4-methylthiophen-2-yl]ethanone
CID 114998129
3,6-dibromo-2,5-bis[6-bromo-2-(6-methylnaphthalen-2-yl)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophene
CID 58340032
6-bromo-5-[3,6-dibromo-5-[6-bromo-2-(dimethylamino)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]-N,N-dimethylthieno[3,2-b]thiophen-2-amine
CID 58339988
1-bromo-3,5-dimethylbenzene;methane;1,3,5-trimethylbenzene
CID 159079937
1-bromo-3,5-dimethylbenzene;ethane
CID 144646164
CID 171375446
CID 171375446
titanium;bis(1,3,5-trimethylbenzene)
CID 12633333

Frequently Asked Questions

What is the IUPAC name of 3,5,6-tribromo-2-(3,5-dimethylphenyl)thieno[3,2-b]thiophene?
The IUPAC name of 3,5,6-tribromo-2-(3,5-dimethylphenyl)thieno[3,2-b]thiophene (CID 102361689) is 3,5,6-tribromo-2-(3,5-dimethylphenyl)thieno[3,2-b]thiophene.
What is the SMILES notation for 3,5,6-tribromo-2-(3,5-dimethylphenyl)thieno[3,2-b]thiophene?
The canonical SMILES for 3,5,6-tribromo-2-(3,5-dimethylphenyl)thieno[3,2-b]thiophene is Cc1cc(C)cc(-c2sc3c(Br)c(Br)sc3c2Br)c1.
What is the InChIKey of 3,5,6-tribromo-2-(3,5-dimethylphenyl)thieno[3,2-b]thiophene?
The InChIKey is OEBCBIQPXLLGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br3S2/c1-6-3-7(2)5-8(4-6)11-9(15)12-13(18-11)10(16)14(17)19-12/h3-5H,1-2H3.
What are the key properties of 3,5,6-tribromo-2-(3,5-dimethylphenyl)thieno[3,2-b]thiophene?
3,5,6-tribromo-2-(3,5-dimethylphenyl)thieno[3,2-b]thiophene has a molecular weight of 481.07 g/mol, XLogP of 7.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-tribromo-2-(3,5-dimethylphenyl)thieno[3,2-b]thiophene is sourced from PubChem (CID 102361689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).