3-bromo-5-[bromo-(4-bromo-3-methylphenyl)methyl]-2-methylthiophene

C13H11Br3S — CID 102835790

IUPAC3-bromo-5-[bromo-(4-bromo-3-methylphenyl)methyl]-2-methylthiophene
SMILESCc1cc(C(Br)c2cc(Br)c(C)s2)ccc1Br
InChIInChI=1S/C13H11Br3S/c1-7-5-9(3-4-10(7)14)13(16)12-6-11(15)8(2)17-12/h3-6,13H,1-2H3
InChIKeyUYLROPQUENNATF-UHFFFAOYSA-N
MW439.01 g/mol
LogP6.37
Rot. Bonds2

About 3-bromo-5-[bromo-(4-bromo-3-methylphenyl)methyl]-2-methylthiophene

3-bromo-5-[bromo-(4-bromo-3-methylphenyl)methyl]-2-methylthiophene (PubChem CID 102835790) has the molecular formula C13H11Br3S and a molecular weight of 439.01 g/mol. Its IUPAC name is 3-bromo-5-[bromo-(4-bromo-3-methylphenyl)methyl]-2-methylthiophene.

Molecular Properties

Compound Name3-bromo-5-[bromo-(4-bromo-3-methylphenyl)methyl]-2-methylthiophene
PubChem CID102835790
Molecular FormulaC13H11Br3S
Molecular Weight439.01 g/mol
Exact Mass435.81
IUPAC Name3-bromo-5-[bromo-(4-bromo-3-methylphenyl)methyl]-2-methylthiophene
SMILESCc1cc(C(Br)c2cc(Br)c(C)s2)ccc1Br
InChIInChI=1S/C13H11Br3S/c1-7-5-9(3-4-10(7)14)13(16)12-6-11(15)8(2)17-12/h3-6,13H,1-2H3
InChIKeyUYLROPQUENNATF-UHFFFAOYSA-N
XLogP6.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.01
LogP ≤ 56.37
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-fluoro-4-methylphenyl)methyl]-2-methylthiophene
CID 102835829
3-bromo-5-[bromo-(3-methoxy-4-methylphenyl)methyl]-2-methylthiophene
CID 102835860
3-bromo-5-[bromo-(3,4-dichlorophenyl)methyl]-2-methylthiophene
CID 102835918
3-bromo-5-[bromo-(3,5-dibromophenyl)methyl]-2-methylthiophene
CID 107981023
3-bromo-5-[bromo-(5-bromothiophen-3-yl)methyl]-2-methylthiophene
CID 107965052
3-bromo-5-[bromo-(3,4,5-trifluorophenyl)methyl]-2-methylthiophene
CID 102835931
3-bromo-5-[bromo-(3-methylthiophen-2-yl)methyl]-2-methylthiophene
CID 102835807
3-bromo-5-[bromo-(2,6-difluoro-3-methylphenyl)methyl]-2-methylthiophene
CID 102835742
(4-bromo-5-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine
CID 102827103
2-[bromo-(4-bromo-3-methylphenyl)methyl]-1,3,5-trimethylbenzene
CID 113396942
3-bromo-5-[bromo-(5-ethylthiophen-2-yl)methyl]-2-methylthiophene
CID 102835721
3-bromo-5-[bromo-(4-bromo-2-fluorophenyl)methyl]-2-methylthiophene
CID 102835926

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[bromo-(4-bromo-3-methylphenyl)methyl]-2-methylthiophene?
The IUPAC name of 3-bromo-5-[bromo-(4-bromo-3-methylphenyl)methyl]-2-methylthiophene (CID 102835790) is 3-bromo-5-[bromo-(4-bromo-3-methylphenyl)methyl]-2-methylthiophene.
What is the SMILES notation for 3-bromo-5-[bromo-(4-bromo-3-methylphenyl)methyl]-2-methylthiophene?
The canonical SMILES for 3-bromo-5-[bromo-(4-bromo-3-methylphenyl)methyl]-2-methylthiophene is Cc1cc(C(Br)c2cc(Br)c(C)s2)ccc1Br.
What is the InChIKey of 3-bromo-5-[bromo-(4-bromo-3-methylphenyl)methyl]-2-methylthiophene?
The InChIKey is UYLROPQUENNATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br3S/c1-7-5-9(3-4-10(7)14)13(16)12-6-11(15)8(2)17-12/h3-6,13H,1-2H3.
What are the key properties of 3-bromo-5-[bromo-(4-bromo-3-methylphenyl)methyl]-2-methylthiophene?
3-bromo-5-[bromo-(4-bromo-3-methylphenyl)methyl]-2-methylthiophene has a molecular weight of 439.01 g/mol, XLogP of 6.37, 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-(4-bromo-3-methylphenyl)methyl]-2-methylthiophene is sourced from PubChem (CID 102835790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).