7-bromo-3-[bromo-(5-bromothiophen-3-yl)methyl]-1-benzothiophene

C13H7Br3S2 — CID 114021677

IUPAC7-bromo-3-[bromo-(5-bromothiophen-3-yl)methyl]-1-benzothiophene
SMILESBrc1cc(C(Br)c2csc3c(Br)cccc23)cs1
InChIInChI=1S/C13H7Br3S2/c14-10-3-1-2-8-9(6-18-13(8)10)12(16)7-4-11(15)17-5-7/h1-6,12H
InChIKeyITDVSYUHXLBNHZ-UHFFFAOYSA-N
MW467.05 g/mol
LogP6.97
Rot. Bonds2

About 7-bromo-3-[bromo-(5-bromothiophen-3-yl)methyl]-1-benzothiophene

7-bromo-3-[bromo-(5-bromothiophen-3-yl)methyl]-1-benzothiophene (PubChem CID 114021677) has the molecular formula C13H7Br3S2 and a molecular weight of 467.05 g/mol. Its IUPAC name is 7-bromo-3-[bromo-(5-bromothiophen-3-yl)methyl]-1-benzothiophene.

Molecular Properties

Compound Name7-bromo-3-[bromo-(5-bromothiophen-3-yl)methyl]-1-benzothiophene
PubChem CID114021677
Molecular FormulaC13H7Br3S2
Molecular Weight467.05 g/mol
Exact Mass463.75
IUPAC Name7-bromo-3-[bromo-(5-bromothiophen-3-yl)methyl]-1-benzothiophene
SMILESBrc1cc(C(Br)c2csc3c(Br)cccc23)cs1
InChIInChI=1S/C13H7Br3S2/c14-10-3-1-2-8-9(6-18-13(8)10)12(16)7-4-11(15)17-5-7/h1-6,12H
InChIKeyITDVSYUHXLBNHZ-UHFFFAOYSA-N
XLogP6.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.05
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-bromo-3-[bromo-(3-chloro-4-methylphenyl)methyl]-1-benzothiophene
CID 81146832
7-bromo-3-[bromo-(2-fluorophenyl)methyl]-1-benzothiophene
CID 81147103
7-bromo-3-[bromo-(2,4-dichlorophenyl)methyl]-1-benzothiophene
CID 81147356
7-bromo-3-[bromo-(3-chlorothiophen-2-yl)methyl]-1-benzothiophene
CID 81148280
7-bromo-3-[bromo-(2-fluoro-5-methylphenyl)methyl]-1-benzothiophene
CID 81147736
7-bromo-3-[1-bromo-2-(3-bromophenyl)ethyl]-1-benzothiophene
CID 81147610
7-bromo-3-(1-chloroethyl)-1-benzothiophene
CID 81146817
(7-bromo-1-benzothiophen-3-yl)-(4-bromophenyl)methanamine
CID 81141985
7-bromo-3-[bromo-(5-ethylthiophen-2-yl)methyl]-1-benzothiophene
CID 81147886
(7-bromo-1-benzothiophen-3-yl)-(3,5-dimethylphenyl)methanamine
CID 81142574
(7-bromo-1-benzothiophen-3-yl)-(3,4,5-trifluorophenyl)methanol
CID 81128771
(7-bromo-1-benzothiophen-3-yl)-(3-methylphenyl)methanol
CID 81153234

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-[bromo-(5-bromothiophen-3-yl)methyl]-1-benzothiophene?
The IUPAC name of 7-bromo-3-[bromo-(5-bromothiophen-3-yl)methyl]-1-benzothiophene (CID 114021677) is 7-bromo-3-[bromo-(5-bromothiophen-3-yl)methyl]-1-benzothiophene.
What is the SMILES notation for 7-bromo-3-[bromo-(5-bromothiophen-3-yl)methyl]-1-benzothiophene?
The canonical SMILES for 7-bromo-3-[bromo-(5-bromothiophen-3-yl)methyl]-1-benzothiophene is Brc1cc(C(Br)c2csc3c(Br)cccc23)cs1.
What is the InChIKey of 7-bromo-3-[bromo-(5-bromothiophen-3-yl)methyl]-1-benzothiophene?
The InChIKey is ITDVSYUHXLBNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br3S2/c14-10-3-1-2-8-9(6-18-13(8)10)12(16)7-4-11(15)17-5-7/h1-6,12H.
What are the key properties of 7-bromo-3-[bromo-(5-bromothiophen-3-yl)methyl]-1-benzothiophene?
7-bromo-3-[bromo-(5-bromothiophen-3-yl)methyl]-1-benzothiophene has a molecular weight of 467.05 g/mol, XLogP of 6.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-[bromo-(5-bromothiophen-3-yl)methyl]-1-benzothiophene is sourced from PubChem (CID 114021677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).