3-bromo-2-[chloro-(2,5-dibromophenyl)methyl]thiophene

C11H6Br3ClS — CID 63796464

IUPAC3-bromo-2-[chloro-(2,5-dibromophenyl)methyl]thiophene
SMILESClC(c1cc(Br)ccc1Br)c1sccc1Br
InChIInChI=1S/C11H6Br3ClS/c12-6-1-2-8(13)7(5-6)10(15)11-9(14)3-4-16-11/h1-5,10H
InChIKeyJAZMAHUOVDSAIS-UHFFFAOYSA-N
MW445.40 g/mol
LogP6.36
Rot. Bonds2

About 3-bromo-2-[chloro-(2,5-dibromophenyl)methyl]thiophene

3-bromo-2-[chloro-(2,5-dibromophenyl)methyl]thiophene (PubChem CID 63796464) has the molecular formula C11H6Br3ClS and a molecular weight of 445.40 g/mol. Its IUPAC name is 3-bromo-2-[chloro-(2,5-dibromophenyl)methyl]thiophene.

Molecular Properties

Compound Name3-bromo-2-[chloro-(2,5-dibromophenyl)methyl]thiophene
PubChem CID63796464
Molecular FormulaC11H6Br3ClS
Molecular Weight445.40 g/mol
Exact Mass441.74
IUPAC Name3-bromo-2-[chloro-(2,5-dibromophenyl)methyl]thiophene
SMILESClC(c1cc(Br)ccc1Br)c1sccc1Br
InChIInChI=1S/C11H6Br3ClS/c12-6-1-2-8(13)7(5-6)10(15)11-9(14)3-4-16-11/h1-5,10H
InChIKeyJAZMAHUOVDSAIS-UHFFFAOYSA-N
XLogP6.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.40
LogP ≤ 56.36
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

3-bromo-2-[(5-bromo-2-methylphenyl)-chloromethyl]thiophene
CID 80535928
2-bromo-4-[chloro-(2,5-dibromophenyl)methyl]thiophene
CID 107964452
2,5-dibromo-3-[(3-bromothiophen-2-yl)-chloromethyl]thiophene
CID 63796992
3-bromo-2-[2-(4-bromophenyl)-1-chloroethyl]thiophene
CID 63800008
2-bromo-3-[(3-bromothiophen-2-yl)-chloromethyl]furan
CID 106855685
2-[(5-bromo-2-methylphenyl)-chloromethyl]-3-chlorothiophene
CID 80530319
1,3-dibromo-5-[chloro-(2,5-dibromophenyl)methyl]benzene
CID 107980813
2,2-dichloro-1-(2,5-dibromophenyl)ethanol
CID 163445311
3-bromo-2-[chloro-(4-chlorophenyl)methyl]thiophene
CID 63798177
2-[2-chloro-2-(2,5-dibromophenyl)ethyl]thiophene
CID 114375554
3-[chloro-(2,5-dibromophenyl)methyl]-1-benzothiophene
CID 63429257
3-bromo-2-[(3-bromo-4-fluorophenyl)-chloromethyl]thiophene
CID 79747373

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[chloro-(2,5-dibromophenyl)methyl]thiophene?
The IUPAC name of 3-bromo-2-[chloro-(2,5-dibromophenyl)methyl]thiophene (CID 63796464) is 3-bromo-2-[chloro-(2,5-dibromophenyl)methyl]thiophene.
What is the SMILES notation for 3-bromo-2-[chloro-(2,5-dibromophenyl)methyl]thiophene?
The canonical SMILES for 3-bromo-2-[chloro-(2,5-dibromophenyl)methyl]thiophene is ClC(c1cc(Br)ccc1Br)c1sccc1Br.
What is the InChIKey of 3-bromo-2-[chloro-(2,5-dibromophenyl)methyl]thiophene?
The InChIKey is JAZMAHUOVDSAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br3ClS/c12-6-1-2-8(13)7(5-6)10(15)11-9(14)3-4-16-11/h1-5,10H.
What are the key properties of 3-bromo-2-[chloro-(2,5-dibromophenyl)methyl]thiophene?
3-bromo-2-[chloro-(2,5-dibromophenyl)methyl]thiophene has a molecular weight of 445.40 g/mol, XLogP of 6.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[chloro-(2,5-dibromophenyl)methyl]thiophene is sourced from PubChem (CID 63796464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).