7-bromo-3-[bromo-(2,4-dichlorophenyl)methyl]-1-benzothiophene

C15H8Br2Cl2S — CID 81147356

IUPAC7-bromo-3-[bromo-(2,4-dichlorophenyl)methyl]-1-benzothiophene
SMILESClc1ccc(C(Br)c2csc3c(Br)cccc23)c(Cl)c1
InChIInChI=1S/C15H8Br2Cl2S/c16-12-3-1-2-9-11(7-20-15(9)12)14(17)10-5-4-8(18)6-13(10)19/h1-7,14H
InChIKeyVTSAGQLQYRVBEP-UHFFFAOYSA-N
MW451.01 g/mol
LogP7.45
Rot. Bonds2

About 7-bromo-3-[bromo-(2,4-dichlorophenyl)methyl]-1-benzothiophene

7-bromo-3-[bromo-(2,4-dichlorophenyl)methyl]-1-benzothiophene (PubChem CID 81147356) has the molecular formula C15H8Br2Cl2S and a molecular weight of 451.01 g/mol. Its IUPAC name is 7-bromo-3-[bromo-(2,4-dichlorophenyl)methyl]-1-benzothiophene.

Molecular Properties

Compound Name7-bromo-3-[bromo-(2,4-dichlorophenyl)methyl]-1-benzothiophene
PubChem CID81147356
Molecular FormulaC15H8Br2Cl2S
Molecular Weight451.01 g/mol
Exact Mass447.81
IUPAC Name7-bromo-3-[bromo-(2,4-dichlorophenyl)methyl]-1-benzothiophene
SMILESClc1ccc(C(Br)c2csc3c(Br)cccc23)c(Cl)c1
InChIInChI=1S/C15H8Br2Cl2S/c16-12-3-1-2-9-11(7-20-15(9)12)14(17)10-5-4-8(18)6-13(10)19/h1-7,14H
InChIKeyVTSAGQLQYRVBEP-UHFFFAOYSA-N
XLogP7.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.01
LogP ≤ 57.45
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-[bromo-(3-chlorothiophen-2-yl)methyl]-1-benzothiophene
CID 81148280
(7-bromo-1-benzothiophen-3-yl)-(4-bromo-2-chlorophenyl)methanol
CID 81153521
7-bromo-3-[bromo-(2-fluoro-5-methylphenyl)methyl]-1-benzothiophene
CID 81147736
7-bromo-3-[bromo-(2-fluorophenyl)methyl]-1-benzothiophene
CID 81147103
7-bromo-3-[bromo-(3-chloro-4-methylphenyl)methyl]-1-benzothiophene
CID 81146832
1-(7-bromo-1-benzothiophen-3-yl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 81131706
7-bromo-3-[bromo-(5-bromothiophen-3-yl)methyl]-1-benzothiophene
CID 114021677
(7-bromo-1-benzothiophen-3-yl)-(4-chloro-2-methoxyphenyl)methanamine
CID 81133000
1-(7-bromo-1-benzothiophen-3-yl)-1-(5-chloro-2-methylphenyl)-N-methylmethanamine
CID 82871496
7-bromo-3-(1-chloroethyl)-1-benzothiophene
CID 81146817
(7-bromo-1-benzothiophen-3-yl)-(4-chloro-2,5-difluorophenyl)methanamine
CID 82773003
(7-bromo-1-benzothiophen-3-yl)-(2-chlorophenyl)methanamine
CID 81142277

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-[bromo-(2,4-dichlorophenyl)methyl]-1-benzothiophene?
The IUPAC name of 7-bromo-3-[bromo-(2,4-dichlorophenyl)methyl]-1-benzothiophene (CID 81147356) is 7-bromo-3-[bromo-(2,4-dichlorophenyl)methyl]-1-benzothiophene.
What is the SMILES notation for 7-bromo-3-[bromo-(2,4-dichlorophenyl)methyl]-1-benzothiophene?
The canonical SMILES for 7-bromo-3-[bromo-(2,4-dichlorophenyl)methyl]-1-benzothiophene is Clc1ccc(C(Br)c2csc3c(Br)cccc23)c(Cl)c1.
What is the InChIKey of 7-bromo-3-[bromo-(2,4-dichlorophenyl)methyl]-1-benzothiophene?
The InChIKey is VTSAGQLQYRVBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Br2Cl2S/c16-12-3-1-2-9-11(7-20-15(9)12)14(17)10-5-4-8(18)6-13(10)19/h1-7,14H.
What are the key properties of 7-bromo-3-[bromo-(2,4-dichlorophenyl)methyl]-1-benzothiophene?
7-bromo-3-[bromo-(2,4-dichlorophenyl)methyl]-1-benzothiophene has a molecular weight of 451.01 g/mol, XLogP of 7.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-[bromo-(2,4-dichlorophenyl)methyl]-1-benzothiophene is sourced from PubChem (CID 81147356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).