2,5-dibromo-6-(4-methoxyphenyl)thieno[3,2-b]thiophene

C13H8Br2OS2 — CID 122480470

IUPAC2,5-dibromo-6-(4-methoxyphenyl)thieno[3,2-b]thiophene
SMILESCOc1ccc(-c2c(Br)sc3cc(Br)sc23)cc1
InChIInChI=1S/C13H8Br2OS2/c1-16-8-4-2-7(3-5-8)11-12-9(17-13(11)15)6-10(14)18-12/h2-6H,1H3
InChIKeyDAGFPNWMRLWSRE-UHFFFAOYSA-N
MW404.15 g/mol
LogP6.16
Rot. Bonds2

About 2,5-dibromo-6-(4-methoxyphenyl)thieno[3,2-b]thiophene

2,5-dibromo-6-(4-methoxyphenyl)thieno[3,2-b]thiophene (PubChem CID 122480470) has the molecular formula C13H8Br2OS2 and a molecular weight of 404.15 g/mol. Its IUPAC name is 2,5-dibromo-6-(4-methoxyphenyl)thieno[3,2-b]thiophene.

Molecular Properties

Compound Name2,5-dibromo-6-(4-methoxyphenyl)thieno[3,2-b]thiophene
PubChem CID122480470
Molecular FormulaC13H8Br2OS2
Molecular Weight404.15 g/mol
Exact Mass401.84
IUPAC Name2,5-dibromo-6-(4-methoxyphenyl)thieno[3,2-b]thiophene
SMILESCOc1ccc(-c2c(Br)sc3cc(Br)sc23)cc1
InChIInChI=1S/C13H8Br2OS2/c1-16-8-4-2-7(3-5-8)11-12-9(17-13(11)15)6-10(14)18-12/h2-6H,1H3
InChIKeyDAGFPNWMRLWSRE-UHFFFAOYSA-N
XLogP6.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.15
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dibromo-3-(4-methoxyphenyl)thiophene
CID 12772916
2-bromo-5-methoxy-1-benzothiophene
CID 74891301
3-bromo-4-(4-methoxyphenyl)-2,5-dimethylthiophene
CID 134832933
2,7-bis(4-methoxyphenyl)-[1]benzothiolo[3,2-b][1]benzothiole
CID 126549760
5-bromo-2-(4-methoxyphenyl)-1,3-thiazol-4-amine
CID 116864276
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
2,5-bis[4-(4-methoxyphenyl)phenyl]thiophene
CID 16751334
2,6,9,10-tetrakis(4-methoxyphenyl)anthracene
CID 139177810
N-[(2,5-dibromothiophen-3-yl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 43497910
5-bromo-3-[(4-methoxyphenyl)methyl]-2-methylthiophene
CID 66692858
2,6-bis(4-methoxyphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole
CID 58983612
2-bromo-4-fluoro-7-methoxy-1-benzothiophene
CID 83920141

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-6-(4-methoxyphenyl)thieno[3,2-b]thiophene?
The IUPAC name of 2,5-dibromo-6-(4-methoxyphenyl)thieno[3,2-b]thiophene (CID 122480470) is 2,5-dibromo-6-(4-methoxyphenyl)thieno[3,2-b]thiophene.
What is the SMILES notation for 2,5-dibromo-6-(4-methoxyphenyl)thieno[3,2-b]thiophene?
The canonical SMILES for 2,5-dibromo-6-(4-methoxyphenyl)thieno[3,2-b]thiophene is COc1ccc(-c2c(Br)sc3cc(Br)sc23)cc1.
What is the InChIKey of 2,5-dibromo-6-(4-methoxyphenyl)thieno[3,2-b]thiophene?
The InChIKey is DAGFPNWMRLWSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2OS2/c1-16-8-4-2-7(3-5-8)11-12-9(17-13(11)15)6-10(14)18-12/h2-6H,1H3.
What are the key properties of 2,5-dibromo-6-(4-methoxyphenyl)thieno[3,2-b]thiophene?
2,5-dibromo-6-(4-methoxyphenyl)thieno[3,2-b]thiophene has a molecular weight of 404.15 g/mol, XLogP of 6.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-6-(4-methoxyphenyl)thieno[3,2-b]thiophene is sourced from PubChem (CID 122480470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).