3,4-dibromo-2-[2-(2-thiophen-2-ylthiophen-3-yl)thiophen-3-yl]thiophene

C16H8Br2S4 — CID 68932468

IUPAC3,4-dibromo-2-[2-(2-thiophen-2-ylthiophen-3-yl)thiophen-3-yl]thiophene
SMILESBrc1csc(-c2ccsc2-c2ccsc2-c2cccs2)c1Br
InChIInChI=1S/C16H8Br2S4/c17-11-8-22-16(13(11)18)10-4-6-20-14(10)9-3-7-21-15(9)12-2-1-5-19-12/h1-8H
InChIKeyXAEBRHQDIWICBI-UHFFFAOYSA-N
MW488.32 g/mol
LogP8.46
Rot. Bonds3

About 3,4-dibromo-2-[2-(2-thiophen-2-ylthiophen-3-yl)thiophen-3-yl]thiophene

3,4-dibromo-2-[2-(2-thiophen-2-ylthiophen-3-yl)thiophen-3-yl]thiophene (PubChem CID 68932468) has the molecular formula C16H8Br2S4 and a molecular weight of 488.32 g/mol. Its IUPAC name is 3,4-dibromo-2-[2-(2-thiophen-2-ylthiophen-3-yl)thiophen-3-yl]thiophene.

Molecular Properties

Compound Name3,4-dibromo-2-[2-(2-thiophen-2-ylthiophen-3-yl)thiophen-3-yl]thiophene
PubChem CID68932468
Molecular FormulaC16H8Br2S4
Molecular Weight488.32 g/mol
Exact Mass485.79
IUPAC Name3,4-dibromo-2-[2-(2-thiophen-2-ylthiophen-3-yl)thiophen-3-yl]thiophene
SMILESBrc1csc(-c2ccsc2-c2ccsc2-c2cccs2)c1Br
InChIInChI=1S/C16H8Br2S4/c17-11-8-22-16(13(11)18)10-4-6-20-14(10)9-3-7-21-15(9)12-2-1-5-19-12/h1-8H
InChIKeyXAEBRHQDIWICBI-UHFFFAOYSA-N
XLogP8.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.32
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

thiophene;2-thiophen-2-yl-3-(3-thiophen-2-ylthiophen-2-yl)thiophene
CID 161377996
3-(4-phenylphenyl)-2-(2-thiophen-2-ylthiophen-3-yl)thiophene
CID 175170754
2,3-dithiophen-2-ylthiophene;2,5-dithiophen-2-ylthiophene
CID 161253410
3,6-dibromo-2,5-dithiophen-2-ylthieno[3,2-b]thiophene
CID 100972748
3-(4-chlorophenyl)-2-thiophen-2-ylthiophene
CID 172853479
4-[5-[3-[5-[4,5-bis[5-[4,5-bis[5-(4,5-dithiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2,3-bis[5-[4,5-bis[5-(4,5-dithiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 102469985
3,4-diphenyl-2-thiophen-2-ylthiophene
CID 90930484
2-(3-bromo-2,5-dimethylphenyl)thiophene
CID 172709193
2-bromo-5-(3-bromothiophen-2-yl)-3,4-dithiophen-2-ylthiophene
CID 21459339
2,3-dibromo-5,7-dithiophen-2-ylthieno[3,4-b]pyrazine
CID 71722248
2-(2,2-dibromo-3H-thiophen-5-yl)-3-thiophen-2-ylthiophene
CID 141454050
3-methoxy-2-thiophen-2-ylthiophene
CID 18353954

Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-2-[2-(2-thiophen-2-ylthiophen-3-yl)thiophen-3-yl]thiophene?
The IUPAC name of 3,4-dibromo-2-[2-(2-thiophen-2-ylthiophen-3-yl)thiophen-3-yl]thiophene (CID 68932468) is 3,4-dibromo-2-[2-(2-thiophen-2-ylthiophen-3-yl)thiophen-3-yl]thiophene.
What is the SMILES notation for 3,4-dibromo-2-[2-(2-thiophen-2-ylthiophen-3-yl)thiophen-3-yl]thiophene?
The canonical SMILES for 3,4-dibromo-2-[2-(2-thiophen-2-ylthiophen-3-yl)thiophen-3-yl]thiophene is Brc1csc(-c2ccsc2-c2ccsc2-c2cccs2)c1Br.
What is the InChIKey of 3,4-dibromo-2-[2-(2-thiophen-2-ylthiophen-3-yl)thiophen-3-yl]thiophene?
The InChIKey is XAEBRHQDIWICBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Br2S4/c17-11-8-22-16(13(11)18)10-4-6-20-14(10)9-3-7-21-15(9)12-2-1-5-19-12/h1-8H.
What are the key properties of 3,4-dibromo-2-[2-(2-thiophen-2-ylthiophen-3-yl)thiophen-3-yl]thiophene?
3,4-dibromo-2-[2-(2-thiophen-2-ylthiophen-3-yl)thiophen-3-yl]thiophene has a molecular weight of 488.32 g/mol, XLogP of 8.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-2-[2-(2-thiophen-2-ylthiophen-3-yl)thiophen-3-yl]thiophene is sourced from PubChem (CID 68932468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).