3-[2-(2-bromothiophen-3-yl)ethenyl]-2,5-dichlorothiophene

C10H5BrCl2S2 — CID 3254876

IUPAC3-[2-(2-bromothiophen-3-yl)ethenyl]-2,5-dichlorothiophene
SMILESClc1cc(C=Cc2ccsc2Br)c(Cl)s1
InChIInChI=1S/C10H5BrCl2S2/c11-9-6(3-4-14-9)1-2-7-5-8(12)15-10(7)13/h1-5H
InChIKeyAAFDENBEDBJSJE-UHFFFAOYSA-N
MW340.09 g/mol
LogP6.05
Rot. Bonds2

About 3-[2-(2-bromothiophen-3-yl)ethenyl]-2,5-dichlorothiophene

3-[2-(2-bromothiophen-3-yl)ethenyl]-2,5-dichlorothiophene (PubChem CID 3254876) has the molecular formula C10H5BrCl2S2 and a molecular weight of 340.09 g/mol. Its IUPAC name is 3-[2-(2-bromothiophen-3-yl)ethenyl]-2,5-dichlorothiophene.

Molecular Properties

Compound Name3-[2-(2-bromothiophen-3-yl)ethenyl]-2,5-dichlorothiophene
PubChem CID3254876
Molecular FormulaC10H5BrCl2S2
Molecular Weight340.09 g/mol
Exact Mass337.84
IUPAC Name3-[2-(2-bromothiophen-3-yl)ethenyl]-2,5-dichlorothiophene
SMILESClc1cc(C=Cc2ccsc2Br)c(Cl)s1
InChIInChI=1S/C10H5BrCl2S2/c11-9-6(3-4-14-9)1-2-7-5-8(12)15-10(7)13/h1-5H
InChIKeyAAFDENBEDBJSJE-UHFFFAOYSA-N
XLogP6.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.09
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-bromothiophen-3-yl)ethenyl]-2,5-dichlorothiophene?
The IUPAC name of 3-[2-(2-bromothiophen-3-yl)ethenyl]-2,5-dichlorothiophene (CID 3254876) is 3-[2-(2-bromothiophen-3-yl)ethenyl]-2,5-dichlorothiophene.
What is the SMILES notation for 3-[2-(2-bromothiophen-3-yl)ethenyl]-2,5-dichlorothiophene?
The canonical SMILES for 3-[2-(2-bromothiophen-3-yl)ethenyl]-2,5-dichlorothiophene is Clc1cc(C=Cc2ccsc2Br)c(Cl)s1.
What is the InChIKey of 3-[2-(2-bromothiophen-3-yl)ethenyl]-2,5-dichlorothiophene?
The InChIKey is AAFDENBEDBJSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrCl2S2/c11-9-6(3-4-14-9)1-2-7-5-8(12)15-10(7)13/h1-5H.
What are the key properties of 3-[2-(2-bromothiophen-3-yl)ethenyl]-2,5-dichlorothiophene?
3-[2-(2-bromothiophen-3-yl)ethenyl]-2,5-dichlorothiophene has a molecular weight of 340.09 g/mol, XLogP of 6.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-bromothiophen-3-yl)ethenyl]-2,5-dichlorothiophene is sourced from PubChem (CID 3254876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).