2-(2,2-dibromo-3H-thiophen-5-yl)-3-thiophen-2-ylthiophene

C12H8Br2S3 — CID 141454050

IUPAC2-(2,2-dibromo-3H-thiophen-5-yl)-3-thiophen-2-ylthiophene
SMILESBrC1(Br)CC=C(c2sccc2-c2cccs2)S1
InChIInChI=1S/C12H8Br2S3/c13-12(14)5-3-10(17-12)11-8(4-7-16-11)9-2-1-6-15-9/h1-4,6-7H,5H2
InChIKeyOKDAOLFTMHEQRH-UHFFFAOYSA-N
MW408.21 g/mol
LogP6.40
Rot. Bonds2

About 2-(2,2-dibromo-3H-thiophen-5-yl)-3-thiophen-2-ylthiophene

2-(2,2-dibromo-3H-thiophen-5-yl)-3-thiophen-2-ylthiophene (PubChem CID 141454050) has the molecular formula C12H8Br2S3 and a molecular weight of 408.21 g/mol. Its IUPAC name is 2-(2,2-dibromo-3H-thiophen-5-yl)-3-thiophen-2-ylthiophene.

Molecular Properties

Compound Name2-(2,2-dibromo-3H-thiophen-5-yl)-3-thiophen-2-ylthiophene
PubChem CID141454050
Molecular FormulaC12H8Br2S3
Molecular Weight408.21 g/mol
Exact Mass405.82
IUPAC Name2-(2,2-dibromo-3H-thiophen-5-yl)-3-thiophen-2-ylthiophene
SMILESBrC1(Br)CC=C(c2sccc2-c2cccs2)S1
InChIInChI=1S/C12H8Br2S3/c13-12(14)5-3-10(17-12)11-8(4-7-16-11)9-2-1-6-15-9/h1-4,6-7H,5H2
InChIKeyOKDAOLFTMHEQRH-UHFFFAOYSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.21
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[3,5-bis(3-thiophen-2-ylthiophen-2-yl)phenyl]-3-(2,3-dihydrothiophen-5-yl)thiophene
CID 163789592
2,3-dithiophen-2-ylthiophene;2,5-dithiophen-2-ylthiophene
CID 161253410
thiophene;2-thiophen-2-yl-3-(3-thiophen-2-ylthiophen-2-yl)thiophene
CID 161377996
2-bromo-2-dodecyl-5-thiophen-2-yl-3H-thiophene
CID 175024270
3,4-dibromo-2-[2-(2-thiophen-2-ylthiophen-3-yl)thiophen-3-yl]thiophene
CID 68932468
1-(2,5-dithiophen-2-yl-3H-thiophen-2-yl)ethanone
CID 67722514
2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 824513
3,6-dithiophen-2-ylbenzene-1,2-diol
CID 122606222
3-(4-chlorophenyl)-2-thiophen-2-ylthiophene
CID 172853479
3-(4-phenylphenyl)-2-(2-thiophen-2-ylthiophen-3-yl)thiophene
CID 175170754
5-methyl-2-thiophen-2-yl-4H-thiopyran
CID 142318678
(2-hexyl-5-thiophen-2-yl-3H-thiophen-2-yl)-trimethylstannane
CID 175212484

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dibromo-3H-thiophen-5-yl)-3-thiophen-2-ylthiophene?
The IUPAC name of 2-(2,2-dibromo-3H-thiophen-5-yl)-3-thiophen-2-ylthiophene (CID 141454050) is 2-(2,2-dibromo-3H-thiophen-5-yl)-3-thiophen-2-ylthiophene.
What is the SMILES notation for 2-(2,2-dibromo-3H-thiophen-5-yl)-3-thiophen-2-ylthiophene?
The canonical SMILES for 2-(2,2-dibromo-3H-thiophen-5-yl)-3-thiophen-2-ylthiophene is BrC1(Br)CC=C(c2sccc2-c2cccs2)S1.
What is the InChIKey of 2-(2,2-dibromo-3H-thiophen-5-yl)-3-thiophen-2-ylthiophene?
The InChIKey is OKDAOLFTMHEQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2S3/c13-12(14)5-3-10(17-12)11-8(4-7-16-11)9-2-1-6-15-9/h1-4,6-7H,5H2.
What are the key properties of 2-(2,2-dibromo-3H-thiophen-5-yl)-3-thiophen-2-ylthiophene?
2-(2,2-dibromo-3H-thiophen-5-yl)-3-thiophen-2-ylthiophene has a molecular weight of 408.21 g/mol, XLogP of 6.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dibromo-3H-thiophen-5-yl)-3-thiophen-2-ylthiophene is sourced from PubChem (CID 141454050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).