5-[bromo-(2,5-dibromo-4-methylphenyl)methyl]-2,3-dimethylthiophene

C14H13Br3S — CID 81472982

IUPAC5-[bromo-(2,5-dibromo-4-methylphenyl)methyl]-2,3-dimethylthiophene
SMILESCc1cc(Br)c(C(Br)c2cc(C)c(C)s2)cc1Br
InChIInChI=1S/C14H13Br3S/c1-7-5-13(18-9(7)3)14(17)10-6-11(15)8(2)4-12(10)16/h4-6,14H,1-3H3
InChIKeyGAXWDFJJMRIOQM-UHFFFAOYSA-N
MW453.04 g/mol
LogP6.68
Rot. Bonds2

About 5-[bromo-(2,5-dibromo-4-methylphenyl)methyl]-2,3-dimethylthiophene

5-[bromo-(2,5-dibromo-4-methylphenyl)methyl]-2,3-dimethylthiophene (PubChem CID 81472982) has the molecular formula C14H13Br3S and a molecular weight of 453.04 g/mol. Its IUPAC name is 5-[bromo-(2,5-dibromo-4-methylphenyl)methyl]-2,3-dimethylthiophene.

Molecular Properties

Compound Name5-[bromo-(2,5-dibromo-4-methylphenyl)methyl]-2,3-dimethylthiophene
PubChem CID81472982
Molecular FormulaC14H13Br3S
Molecular Weight453.04 g/mol
Exact Mass449.83
IUPAC Name5-[bromo-(2,5-dibromo-4-methylphenyl)methyl]-2,3-dimethylthiophene
SMILESCc1cc(Br)c(C(Br)c2cc(C)c(C)s2)cc1Br
InChIInChI=1S/C14H13Br3S/c1-7-5-13(18-9(7)3)14(17)10-6-11(15)8(2)4-12(10)16/h4-6,14H,1-3H3
InChIKeyGAXWDFJJMRIOQM-UHFFFAOYSA-N
XLogP6.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.04
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-[bromo-(2,5-dibromo-4-methylphenyl)methyl]-2,3-dimethylthiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,5-dibromo-4-methylphenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 81472935
5-[bromo-(2,4,6-trimethylphenyl)methyl]-2,3-dimethylthiophene
CID 65238505
2-bromo-5-[bromo-(2,5-dibromophenyl)methyl]-3-methylthiophene
CID 79997261
1,4-dibromo-2-(1-bromo-2-methylpropyl)-5-methylbenzene
CID 81474215
3-bromo-5-[bromo-(4-bromo-3-methylphenyl)methyl]-2-methylthiophene
CID 102835790
1,4-dibromo-2-[bromo-(3-bromophenyl)methyl]-5-methylbenzene
CID 81470930
1,4-dibromo-2-[bromo-(4-bromo-2,6-difluorophenyl)methyl]-5-methylbenzene
CID 81470322
5-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-2,3-dimethylthiophene
CID 65238352
5-[bromo-(4-propan-2-yloxyphenyl)methyl]-2,3-dimethylthiophene
CID 65237949
1,4-dibromo-2-[bromo-(4-bromo-2-fluorophenyl)methyl]-5-methylbenzene
CID 81474119
(4-bromothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methanol
CID 115820072
1,4-dibromo-2-[bromo-(2,4-dichlorophenyl)methyl]-5-methylbenzene
CID 81474218

Frequently Asked Questions

What is the IUPAC name of 5-[bromo-(2,5-dibromo-4-methylphenyl)methyl]-2,3-dimethylthiophene?
The IUPAC name of 5-[bromo-(2,5-dibromo-4-methylphenyl)methyl]-2,3-dimethylthiophene (CID 81472982) is 5-[bromo-(2,5-dibromo-4-methylphenyl)methyl]-2,3-dimethylthiophene.
What is the SMILES notation for 5-[bromo-(2,5-dibromo-4-methylphenyl)methyl]-2,3-dimethylthiophene?
The canonical SMILES for 5-[bromo-(2,5-dibromo-4-methylphenyl)methyl]-2,3-dimethylthiophene is Cc1cc(Br)c(C(Br)c2cc(C)c(C)s2)cc1Br.
What is the InChIKey of 5-[bromo-(2,5-dibromo-4-methylphenyl)methyl]-2,3-dimethylthiophene?
The InChIKey is GAXWDFJJMRIOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br3S/c1-7-5-13(18-9(7)3)14(17)10-6-11(15)8(2)4-12(10)16/h4-6,14H,1-3H3.
What are the key properties of 5-[bromo-(2,5-dibromo-4-methylphenyl)methyl]-2,3-dimethylthiophene?
5-[bromo-(2,5-dibromo-4-methylphenyl)methyl]-2,3-dimethylthiophene has a molecular weight of 453.04 g/mol, XLogP of 6.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bromo-(2,5-dibromo-4-methylphenyl)methyl]-2,3-dimethylthiophene is sourced from PubChem (CID 81472982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).