3-bromo-5-[bromo-(2,6-dichlorophenyl)methyl]-2-chlorothiophene

C11H5Br2Cl3S — CID 102836792

IUPAC3-bromo-5-[bromo-(2,6-dichlorophenyl)methyl]-2-chlorothiophene
SMILESClc1cccc(Cl)c1C(Br)c1cc(Br)c(Cl)s1
InChIInChI=1S/C11H5Br2Cl3S/c12-5-4-8(17-11(5)16)10(13)9-6(14)2-1-3-7(9)15/h1-4,10H
InChIKeyMCMVLILWYHYCMD-UHFFFAOYSA-N
MW435.40 g/mol
LogP6.96
Rot. Bonds2

About 3-bromo-5-[bromo-(2,6-dichlorophenyl)methyl]-2-chlorothiophene

3-bromo-5-[bromo-(2,6-dichlorophenyl)methyl]-2-chlorothiophene (PubChem CID 102836792) has the molecular formula C11H5Br2Cl3S and a molecular weight of 435.40 g/mol. Its IUPAC name is 3-bromo-5-[bromo-(2,6-dichlorophenyl)methyl]-2-chlorothiophene.

Molecular Properties

Compound Name3-bromo-5-[bromo-(2,6-dichlorophenyl)methyl]-2-chlorothiophene
PubChem CID102836792
Molecular FormulaC11H5Br2Cl3S
Molecular Weight435.40 g/mol
Exact Mass431.75
IUPAC Name3-bromo-5-[bromo-(2,6-dichlorophenyl)methyl]-2-chlorothiophene
SMILESClc1cccc(Cl)c1C(Br)c1cc(Br)c(Cl)s1
InChIInChI=1S/C11H5Br2Cl3S/c12-5-4-8(17-11(5)16)10(13)9-6(14)2-1-3-7(9)15/h1-4,10H
InChIKeyMCMVLILWYHYCMD-UHFFFAOYSA-N
XLogP6.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.40
LogP ≤ 56.96
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-5-[bromo-(3-bromophenyl)methyl]-2-chlorothiophene
CID 102836839
2,3-dibromo-5-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]thiophene
CID 102836981
(4-bromo-5-chlorothiophen-2-yl)-(2-chlorophenyl)methanol
CID 102830128
(4-bromo-5-chlorothiophen-2-yl)-(3-chloro-2-methylphenyl)methanol
CID 107098965
3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-chlorothiophene
CID 102836918
3-bromo-5-[bromo-(2-bromo-4-methylphenyl)methyl]-2-chlorothiophene
CID 102836721
2-bromo-3-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]furan
CID 106855734
3-bromo-5-[bromo-(2,3,4-trifluorophenyl)methyl]-2-chlorothiophene
CID 102836767
3-bromo-5-[bromo-(4-methylsulfanylphenyl)methyl]-2-chlorothiophene
CID 102837148
2-bromo-5-[bromo-(2-bromo-6-fluorophenyl)methyl]-3-chlorothiophene
CID 114560717
1-(4-bromo-5-chlorothiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 102828263
1-(4-bromo-5-chlorothiophen-2-yl)-2-(2-chlorophenyl)ethanol
CID 102829814

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[bromo-(2,6-dichlorophenyl)methyl]-2-chlorothiophene?
The IUPAC name of 3-bromo-5-[bromo-(2,6-dichlorophenyl)methyl]-2-chlorothiophene (CID 102836792) is 3-bromo-5-[bromo-(2,6-dichlorophenyl)methyl]-2-chlorothiophene.
What is the SMILES notation for 3-bromo-5-[bromo-(2,6-dichlorophenyl)methyl]-2-chlorothiophene?
The canonical SMILES for 3-bromo-5-[bromo-(2,6-dichlorophenyl)methyl]-2-chlorothiophene is Clc1cccc(Cl)c1C(Br)c1cc(Br)c(Cl)s1.
What is the InChIKey of 3-bromo-5-[bromo-(2,6-dichlorophenyl)methyl]-2-chlorothiophene?
The InChIKey is MCMVLILWYHYCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Br2Cl3S/c12-5-4-8(17-11(5)16)10(13)9-6(14)2-1-3-7(9)15/h1-4,10H.
What are the key properties of 3-bromo-5-[bromo-(2,6-dichlorophenyl)methyl]-2-chlorothiophene?
3-bromo-5-[bromo-(2,6-dichlorophenyl)methyl]-2-chlorothiophene has a molecular weight of 435.40 g/mol, XLogP of 6.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[bromo-(2,6-dichlorophenyl)methyl]-2-chlorothiophene is sourced from PubChem (CID 102836792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).