2-bromo-5-(3-bromothiophen-2-yl)-3,4-dithiophen-2-ylthiophene

C16H8Br2S4 — CID 21459339

IUPAC2-bromo-5-(3-bromothiophen-2-yl)-3,4-dithiophen-2-ylthiophene
SMILESBrc1ccsc1-c1sc(Br)c(-c2cccs2)c1-c1cccs1
InChIInChI=1S/C16H8Br2S4/c17-9-5-8-21-14(9)15-12(10-3-1-6-19-10)13(16(18)22-15)11-4-2-7-20-11/h1-8H
InChIKeyLPGOKBSJEQKOPG-UHFFFAOYSA-N
MW488.32 g/mol
LogP8.46
Rot. Bonds3

About 2-bromo-5-(3-bromothiophen-2-yl)-3,4-dithiophen-2-ylthiophene

2-bromo-5-(3-bromothiophen-2-yl)-3,4-dithiophen-2-ylthiophene (PubChem CID 21459339) has the molecular formula C16H8Br2S4 and a molecular weight of 488.32 g/mol. Its IUPAC name is 2-bromo-5-(3-bromothiophen-2-yl)-3,4-dithiophen-2-ylthiophene.

Molecular Properties

Compound Name2-bromo-5-(3-bromothiophen-2-yl)-3,4-dithiophen-2-ylthiophene
PubChem CID21459339
Molecular FormulaC16H8Br2S4
Molecular Weight488.32 g/mol
Exact Mass485.79
IUPAC Name2-bromo-5-(3-bromothiophen-2-yl)-3,4-dithiophen-2-ylthiophene
SMILESBrc1ccsc1-c1sc(Br)c(-c2cccs2)c1-c1cccs1
InChIInChI=1S/C16H8Br2S4/c17-9-5-8-21-14(9)15-12(10-3-1-6-19-10)13(16(18)22-15)11-4-2-7-20-11/h1-8H
InChIKeyLPGOKBSJEQKOPG-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

2,3-dibromo-5-thiophen-2-ylthiophene
CID 24796079
3,6-dibromo-2,5-dithiophen-2-ylthieno[3,2-b]thiophene
CID 100972748
2,5-dithiophen-2-ylthiophene-3,4-dithiol
CID 101208801
2,3-diphenyl-4,5-dithiophen-2-ylthiophene
CID 67533683
3,4-dibromo-2-[2-(2-thiophen-2-ylthiophen-3-yl)thiophen-3-yl]thiophene
CID 68932468
thiophene;2-thiophen-2-ylthiophene
CID 158809122
2,3-dibromo-5,7-dithiophen-2-ylthieno[3,4-b]pyrazine
CID 71722248
4,7-bis(5-bromothiophen-2-yl)-2,1,3-benzothiadiazole-5,6-diamine;4,7-dithiophen-2-yl-2,1,3-benzothiadiazole-5,6-diamine
CID 157485731
3-bromo-2-(4-tert-butylphenyl)-5-thiophen-2-ylthiophene
CID 89484063
3-amino-5-(2-bromo-6-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile
CID 114560877
2-(5-bromothiophen-2-yl)-5-thiophen-2-ylfuran
CID 10781309
2-thiophen-2-ylbenzene-1,3-diamine
CID 69383856

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(3-bromothiophen-2-yl)-3,4-dithiophen-2-ylthiophene?
The IUPAC name of 2-bromo-5-(3-bromothiophen-2-yl)-3,4-dithiophen-2-ylthiophene (CID 21459339) is 2-bromo-5-(3-bromothiophen-2-yl)-3,4-dithiophen-2-ylthiophene.
What is the SMILES notation for 2-bromo-5-(3-bromothiophen-2-yl)-3,4-dithiophen-2-ylthiophene?
The canonical SMILES for 2-bromo-5-(3-bromothiophen-2-yl)-3,4-dithiophen-2-ylthiophene is Brc1ccsc1-c1sc(Br)c(-c2cccs2)c1-c1cccs1.
What is the InChIKey of 2-bromo-5-(3-bromothiophen-2-yl)-3,4-dithiophen-2-ylthiophene?
The InChIKey is LPGOKBSJEQKOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Br2S4/c17-9-5-8-21-14(9)15-12(10-3-1-6-19-10)13(16(18)22-15)11-4-2-7-20-11/h1-8H.
What are the key properties of 2-bromo-5-(3-bromothiophen-2-yl)-3,4-dithiophen-2-ylthiophene?
2-bromo-5-(3-bromothiophen-2-yl)-3,4-dithiophen-2-ylthiophene 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 2-bromo-5-(3-bromothiophen-2-yl)-3,4-dithiophen-2-ylthiophene is sourced from PubChem (CID 21459339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).