2-bromo-5-[(5-bromo-2-chlorophenyl)-chloromethyl]thiophene

C11H6Br2Cl2S — CID 63435018

IUPAC2-bromo-5-[(5-bromo-2-chlorophenyl)-chloromethyl]thiophene
SMILESClc1ccc(Br)cc1C(Cl)c1ccc(Br)s1
InChIInChI=1S/C11H6Br2Cl2S/c12-6-1-2-8(14)7(5-6)11(15)9-3-4-10(13)16-9/h1-5,11H
InChIKeyANBTVMWAMVGOPA-UHFFFAOYSA-N
MW400.95 g/mol
LogP6.25
Rot. Bonds2

About 2-bromo-5-[(5-bromo-2-chlorophenyl)-chloromethyl]thiophene

2-bromo-5-[(5-bromo-2-chlorophenyl)-chloromethyl]thiophene (PubChem CID 63435018) has the molecular formula C11H6Br2Cl2S and a molecular weight of 400.95 g/mol. Its IUPAC name is 2-bromo-5-[(5-bromo-2-chlorophenyl)-chloromethyl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[(5-bromo-2-chlorophenyl)-chloromethyl]thiophene
PubChem CID63435018
Molecular FormulaC11H6Br2Cl2S
Molecular Weight400.95 g/mol
Exact Mass397.79
IUPAC Name2-bromo-5-[(5-bromo-2-chlorophenyl)-chloromethyl]thiophene
SMILESClc1ccc(Br)cc1C(Cl)c1ccc(Br)s1
InChIInChI=1S/C11H6Br2Cl2S/c12-6-1-2-8(14)7(5-6)11(15)9-3-4-10(13)16-9/h1-5,11H
InChIKeyANBTVMWAMVGOPA-UHFFFAOYSA-N
XLogP6.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.95
LogP ≤ 56.25
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

2-bromo-5-[(5-bromo-2-ethoxyphenyl)-chloromethyl]thiophene
CID 63434185
2-bromo-5-[chloro-(5-chloro-2-fluorophenyl)methyl]thiophene
CID 63435413
2-bromo-5-[chloro-(3-chloro-2-methylphenyl)methyl]thiophene
CID 107099110
4-bromo-1-chloro-2-[chloro-(3,4-dichlorophenyl)methyl]benzene
CID 63436360
3-[(5-bromothiophen-2-yl)-chloromethyl]-2,5-dimethylthiophene
CID 63432587
4-bromo-1-chloro-2-[chloro-(4-propan-2-ylphenyl)methyl]benzene
CID 55198727
1-[(5-bromo-2-chlorophenyl)-chloromethyl]-2,4-dichlorobenzene
CID 63444065
2-bromo-5-[chloro-(3-chloro-4-iodophenyl)methyl]thiophene
CID 103210763
6-bromo-7-[(5-bromothiophen-2-yl)-chloromethyl]-2,3-dihydro-1,4-benzodioxine
CID 55198333
2-bromo-5-[chloro-(2,3,4-trifluorophenyl)methyl]thiophene
CID 79757506
2-[bromo-(5-bromo-2-chlorophenyl)methyl]-5-ethylthiophene
CID 63439227
(5-bromo-2-chlorophenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine
CID 79992281

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(5-bromo-2-chlorophenyl)-chloromethyl]thiophene?
The IUPAC name of 2-bromo-5-[(5-bromo-2-chlorophenyl)-chloromethyl]thiophene (CID 63435018) is 2-bromo-5-[(5-bromo-2-chlorophenyl)-chloromethyl]thiophene.
What is the SMILES notation for 2-bromo-5-[(5-bromo-2-chlorophenyl)-chloromethyl]thiophene?
The canonical SMILES for 2-bromo-5-[(5-bromo-2-chlorophenyl)-chloromethyl]thiophene is Clc1ccc(Br)cc1C(Cl)c1ccc(Br)s1.
What is the InChIKey of 2-bromo-5-[(5-bromo-2-chlorophenyl)-chloromethyl]thiophene?
The InChIKey is ANBTVMWAMVGOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2Cl2S/c12-6-1-2-8(14)7(5-6)11(15)9-3-4-10(13)16-9/h1-5,11H.
What are the key properties of 2-bromo-5-[(5-bromo-2-chlorophenyl)-chloromethyl]thiophene?
2-bromo-5-[(5-bromo-2-chlorophenyl)-chloromethyl]thiophene has a molecular weight of 400.95 g/mol, XLogP of 6.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(5-bromo-2-chlorophenyl)-chloromethyl]thiophene is sourced from PubChem (CID 63435018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).