3-bromo-2-(3-bromothiophen-2-yl)thiophene

C8H4Br2S2 — CID 819087

IUPAC3-bromo-2-(3-bromothiophen-2-yl)thiophene
SMILESBrc1ccsc1-c1sccc1Br
InChIInChI=1S/C8H4Br2S2/c9-5-1-3-11-7(5)8-6(10)2-4-12-8/h1-4H
InChIKeyKBRZCEVRNLKHAZ-UHFFFAOYSA-N
MW324.06 g/mol
LogP5.00
Rot. Bonds1

About 3-bromo-2-(3-bromothiophen-2-yl)thiophene

3-bromo-2-(3-bromothiophen-2-yl)thiophene (PubChem CID 819087) has the molecular formula C8H4Br2S2 and a molecular weight of 324.06 g/mol. Its IUPAC name is 3-bromo-2-(3-bromothiophen-2-yl)thiophene.

Molecular Properties

Compound Name3-bromo-2-(3-bromothiophen-2-yl)thiophene
PubChem CID819087
Molecular FormulaC8H4Br2S2
Molecular Weight324.06 g/mol
Exact Mass321.81
IUPAC Name3-bromo-2-(3-bromothiophen-2-yl)thiophene
SMILESBrc1ccsc1-c1sccc1Br
InChIInChI=1S/C8H4Br2S2/c9-5-1-3-11-7(5)8-6(10)2-4-12-8/h1-4H
InChIKeyKBRZCEVRNLKHAZ-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.06
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2'-Bithiophene
CID 68120
5,5'-Dibromo-2,2'-bithiophene
CID 638908
5,5''-Dibromo-2,2':5',2''-terthiophene
CID 176690
2-Bromo-5-(5-thiophen-2-ylthiophen-2-yl)thiophene
CID 185352
3,3',5,5'-Tetrabromo-2,2'-bithiophene
CID 2740586
5-Bromo-5'-(tridecafluorohexyl)-2,2'-bithiophene
CID 11203820
5-Bromo-[2,2']bithiophenyl
CID 640065
5-Bromo-5'-hexyl-2,2'-bithiophene
CID 59752457
2,2'-Dithienylmethane
CID 138192
[2,2'-Bithiophene]-5-thiol
CID 10058576
3,3'-Dibromo-5,5'-bis(trimethylsilyl)-2,2'-bithiophene
CID 15860540
5,5'-Dibromo-3,3'-difluoro-2,2'-bithiophene
CID 118542755

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(3-bromothiophen-2-yl)thiophene?
The IUPAC name of 3-bromo-2-(3-bromothiophen-2-yl)thiophene (CID 819087) is 3-bromo-2-(3-bromothiophen-2-yl)thiophene.
What is the SMILES notation for 3-bromo-2-(3-bromothiophen-2-yl)thiophene?
The canonical SMILES for 3-bromo-2-(3-bromothiophen-2-yl)thiophene is Brc1ccsc1-c1sccc1Br.
What is the InChIKey of 3-bromo-2-(3-bromothiophen-2-yl)thiophene?
The InChIKey is KBRZCEVRNLKHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2S2/c9-5-1-3-11-7(5)8-6(10)2-4-12-8/h1-4H.
What are the key properties of 3-bromo-2-(3-bromothiophen-2-yl)thiophene?
3-bromo-2-(3-bromothiophen-2-yl)thiophene has a molecular weight of 324.06 g/mol, XLogP of 5.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(3-bromothiophen-2-yl)thiophene is sourced from PubChem (CID 819087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).