2-bromo-4-[chloro-(2,5-dichlorophenyl)methyl]thiophene

C11H6BrCl3S — CID 107964544

IUPAC2-bromo-4-[chloro-(2,5-dichlorophenyl)methyl]thiophene
SMILESClc1ccc(Cl)c(C(Cl)c2csc(Br)c2)c1
InChIInChI=1S/C11H6BrCl3S/c12-10-3-6(5-16-10)11(15)8-4-7(13)1-2-9(8)14/h1-5,11H
InChIKeyHLTVFILTBHJKCF-UHFFFAOYSA-N
MW356.50 g/mol
LogP6.15
Rot. Bonds2

About 2-bromo-4-[chloro-(2,5-dichlorophenyl)methyl]thiophene

2-bromo-4-[chloro-(2,5-dichlorophenyl)methyl]thiophene (PubChem CID 107964544) has the molecular formula C11H6BrCl3S and a molecular weight of 356.50 g/mol. Its IUPAC name is 2-bromo-4-[chloro-(2,5-dichlorophenyl)methyl]thiophene.

Molecular Properties

Compound Name2-bromo-4-[chloro-(2,5-dichlorophenyl)methyl]thiophene
PubChem CID107964544
Molecular FormulaC11H6BrCl3S
Molecular Weight356.50 g/mol
Exact Mass353.84
IUPAC Name2-bromo-4-[chloro-(2,5-dichlorophenyl)methyl]thiophene
SMILESClc1ccc(Cl)c(C(Cl)c2csc(Br)c2)c1
InChIInChI=1S/C11H6BrCl3S/c12-10-3-6(5-16-10)11(15)8-4-7(13)1-2-9(8)14/h1-5,11H
InChIKeyHLTVFILTBHJKCF-UHFFFAOYSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.50
LogP ≤ 56.15
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

1-bromo-2-chloro-4-[chloro-(2,5-dichlorophenyl)methyl]benzene
CID 81295695
7-[(5-bromothiophen-3-yl)-chloromethyl]-6-chloro-2,3-dihydro-1,4-benzodioxine
CID 114021610
1,4-dichloro-2-[chloro-(3-chlorophenyl)methyl]benzene
CID 63436332
2-bromo-4-[chloro-(2,5-dibromophenyl)methyl]thiophene
CID 107964452
2-bromo-4-[(3-bromo-4-fluorophenyl)-chloromethyl]thiophene
CID 107964882
1,4-dichloro-2-[chloro-(2,4-dichlorophenyl)methyl]benzene
CID 63436201
1,4-dichloro-2-[chloro-(2-chlorophenyl)methyl]benzene
CID 55200431
2-bromo-4-[chloro-(4-ethylphenyl)methyl]thiophene
CID 107964496
3-[chloro-(2,5-dichlorophenyl)methyl]-4-methylthiophene
CID 79807821
1-(5-bromothiophen-3-yl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 105076520
2-bromo-4-[1-bromo-2-(4-chlorophenyl)ethyl]thiophene
CID 107965781
2-bromo-4-[chloro-(4-methylnaphthalen-1-yl)methyl]thiophene
CID 114021666

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[chloro-(2,5-dichlorophenyl)methyl]thiophene?
The IUPAC name of 2-bromo-4-[chloro-(2,5-dichlorophenyl)methyl]thiophene (CID 107964544) is 2-bromo-4-[chloro-(2,5-dichlorophenyl)methyl]thiophene.
What is the SMILES notation for 2-bromo-4-[chloro-(2,5-dichlorophenyl)methyl]thiophene?
The canonical SMILES for 2-bromo-4-[chloro-(2,5-dichlorophenyl)methyl]thiophene is Clc1ccc(Cl)c(C(Cl)c2csc(Br)c2)c1.
What is the InChIKey of 2-bromo-4-[chloro-(2,5-dichlorophenyl)methyl]thiophene?
The InChIKey is HLTVFILTBHJKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrCl3S/c12-10-3-6(5-16-10)11(15)8-4-7(13)1-2-9(8)14/h1-5,11H.
What are the key properties of 2-bromo-4-[chloro-(2,5-dichlorophenyl)methyl]thiophene?
2-bromo-4-[chloro-(2,5-dichlorophenyl)methyl]thiophene has a molecular weight of 356.50 g/mol, XLogP of 6.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[chloro-(2,5-dichlorophenyl)methyl]thiophene is sourced from PubChem (CID 107964544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).