7-bromo-3-[1-bromo-2-(3-bromophenyl)ethyl]-1-benzothiophene

C16H11Br3S — CID 81147610

IUPAC7-bromo-3-[1-bromo-2-(3-bromophenyl)ethyl]-1-benzothiophene
SMILESBrc1cccc(CC(Br)c2csc3c(Br)cccc23)c1
InChIInChI=1S/C16H11Br3S/c17-11-4-1-3-10(7-11)8-15(19)13-9-20-16-12(13)5-2-6-14(16)18/h1-7,9,15H,8H2
InChIKeySDLOWROUPWNPJZ-UHFFFAOYSA-N
MW475.04 g/mol
LogP7.11
Rot. Bonds3

About 7-bromo-3-[1-bromo-2-(3-bromophenyl)ethyl]-1-benzothiophene

7-bromo-3-[1-bromo-2-(3-bromophenyl)ethyl]-1-benzothiophene (PubChem CID 81147610) has the molecular formula C16H11Br3S and a molecular weight of 475.04 g/mol. Its IUPAC name is 7-bromo-3-[1-bromo-2-(3-bromophenyl)ethyl]-1-benzothiophene.

Molecular Properties

Compound Name7-bromo-3-[1-bromo-2-(3-bromophenyl)ethyl]-1-benzothiophene
PubChem CID81147610
Molecular FormulaC16H11Br3S
Molecular Weight475.04 g/mol
Exact Mass471.81
IUPAC Name7-bromo-3-[1-bromo-2-(3-bromophenyl)ethyl]-1-benzothiophene
SMILESBrc1cccc(CC(Br)c2csc3c(Br)cccc23)c1
InChIInChI=1S/C16H11Br3S/c17-11-4-1-3-10(7-11)8-15(19)13-9-20-16-12(13)5-2-6-14(16)18/h1-7,9,15H,8H2
InChIKeySDLOWROUPWNPJZ-UHFFFAOYSA-N
XLogP7.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.04
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-bromo-3-[1-bromo-2-(2-fluorophenyl)ethyl]-1-benzothiophene
CID 81147108
1-(7-bromo-1-benzothiophen-3-yl)-2-(3,4-dimethylphenyl)ethanol
CID 81129023
1-(7-bromo-1-benzothiophen-3-yl)-2-(3-methylphenyl)ethanamine
CID 81142132
7-bromo-3-[bromo-(5-bromothiophen-3-yl)methyl]-1-benzothiophene
CID 114021677
7-bromo-3-(1-bromo-2-cyclobutylethyl)-1-benzothiophene
CID 103165984
1-[1-bromo-2-(3-bromophenyl)ethyl]-2-chloro-3-fluorobenzene
CID 81461930
7-bromo-3-[bromo-(2-fluorophenyl)methyl]-1-benzothiophene
CID 81147103
3-[1-bromo-2-(3-bromophenyl)ethyl]-2,5-dichlorothiophene
CID 55199742
7-bromo-3-(1-chloroethyl)-1-benzothiophene
CID 81146817
2-[1-bromo-2-(3-bromophenyl)ethyl]-4-chloro-1-fluorobenzene
CID 63531253
(7-bromo-1-benzothiophen-3-yl)-(4-bromophenyl)methanamine
CID 81141985
7-bromo-3-(1-bromo-2-methylpentyl)-1-benzothiophene
CID 81146687

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-[1-bromo-2-(3-bromophenyl)ethyl]-1-benzothiophene?
The IUPAC name of 7-bromo-3-[1-bromo-2-(3-bromophenyl)ethyl]-1-benzothiophene (CID 81147610) is 7-bromo-3-[1-bromo-2-(3-bromophenyl)ethyl]-1-benzothiophene.
What is the SMILES notation for 7-bromo-3-[1-bromo-2-(3-bromophenyl)ethyl]-1-benzothiophene?
The canonical SMILES for 7-bromo-3-[1-bromo-2-(3-bromophenyl)ethyl]-1-benzothiophene is Brc1cccc(CC(Br)c2csc3c(Br)cccc23)c1.
What is the InChIKey of 7-bromo-3-[1-bromo-2-(3-bromophenyl)ethyl]-1-benzothiophene?
The InChIKey is SDLOWROUPWNPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Br3S/c17-11-4-1-3-10(7-11)8-15(19)13-9-20-16-12(13)5-2-6-14(16)18/h1-7,9,15H,8H2.
What are the key properties of 7-bromo-3-[1-bromo-2-(3-bromophenyl)ethyl]-1-benzothiophene?
7-bromo-3-[1-bromo-2-(3-bromophenyl)ethyl]-1-benzothiophene has a molecular weight of 475.04 g/mol, XLogP of 7.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-[1-bromo-2-(3-bromophenyl)ethyl]-1-benzothiophene is sourced from PubChem (CID 81147610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).