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

C13H12Br2S — CID 107983493

IUPAC2-[bromo-(2-bromo-3-methylphenyl)methyl]-5-methylthiophene
SMILESCc1ccc(C(Br)c2cccc(C)c2Br)s1
InChIInChI=1S/C13H12Br2S/c1-8-4-3-5-10(12(8)14)13(15)11-7-6-9(2)16-11/h3-7,13H,1-2H3
InChIKeyZWRQOLXCIBKSGV-UHFFFAOYSA-N
MW360.11 g/mol
LogP5.61
Rot. Bonds2

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

2-[bromo-(2-bromo-3-methylphenyl)methyl]-5-methylthiophene (PubChem CID 107983493) has the molecular formula C13H12Br2S and a molecular weight of 360.11 g/mol. Its IUPAC name is 2-[bromo-(2-bromo-3-methylphenyl)methyl]-5-methylthiophene.

Molecular Properties

Compound Name2-[bromo-(2-bromo-3-methylphenyl)methyl]-5-methylthiophene
PubChem CID107983493
Molecular FormulaC13H12Br2S
Molecular Weight360.11 g/mol
Exact Mass357.90
IUPAC Name2-[bromo-(2-bromo-3-methylphenyl)methyl]-5-methylthiophene
SMILESCc1ccc(C(Br)c2cccc(C)c2Br)s1
InChIInChI=1S/C13H12Br2S/c1-8-4-3-5-10(12(8)14)13(15)11-7-6-9(2)16-11/h3-7,13H,1-2H3
InChIKeyZWRQOLXCIBKSGV-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.11
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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

2,3-dibromo-5-[bromo-(2-bromo-3-methylphenyl)methyl]thiophene
CID 107983607
3-bromo-2-[bromo-(2-bromo-3-methylphenyl)methyl]-5-methylthiophene
CID 107983579
2-[bromo-(2-methoxyphenyl)methyl]-5-methylthiophene
CID 61085099
3-[bromo-(5-methylthiophen-2-yl)methyl]-2,5-dimethylthiophene
CID 63440541
2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-5-methylthiophene
CID 63435888
3-[bromo-(2-bromo-3-methylphenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 107983519
2-[bromo-[2-(difluoromethoxy)phenyl]methyl]-5-methylthiophene
CID 63435734
2-[bromo-(4-bromo-2-chlorophenyl)methyl]-5-methylthiophene
CID 63435870
2-[bromo-(5-bromo-2-fluorophenyl)methyl]-5-methylthiophene
CID 63435784
2-[bromo-(2-bromo-4-chlorophenyl)methyl]-5-methylthiophene
CID 107991587
2-[bromo-(4-chloronaphthalen-1-yl)methyl]-5-methylthiophene
CID 79596914
2-[bromo-(3-bromo-4-methylphenyl)methyl]-5-methylthiophene
CID 81476406

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(2-bromo-3-methylphenyl)methyl]-5-methylthiophene?
The IUPAC name of 2-[bromo-(2-bromo-3-methylphenyl)methyl]-5-methylthiophene (CID 107983493) is 2-[bromo-(2-bromo-3-methylphenyl)methyl]-5-methylthiophene.
What is the SMILES notation for 2-[bromo-(2-bromo-3-methylphenyl)methyl]-5-methylthiophene?
The canonical SMILES for 2-[bromo-(2-bromo-3-methylphenyl)methyl]-5-methylthiophene is Cc1ccc(C(Br)c2cccc(C)c2Br)s1.
What is the InChIKey of 2-[bromo-(2-bromo-3-methylphenyl)methyl]-5-methylthiophene?
The InChIKey is ZWRQOLXCIBKSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2S/c1-8-4-3-5-10(12(8)14)13(15)11-7-6-9(2)16-11/h3-7,13H,1-2H3.
What are the key properties of 2-[bromo-(2-bromo-3-methylphenyl)methyl]-5-methylthiophene?
2-[bromo-(2-bromo-3-methylphenyl)methyl]-5-methylthiophene has a molecular weight of 360.11 g/mol, XLogP of 5.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(2-bromo-3-methylphenyl)methyl]-5-methylthiophene is sourced from PubChem (CID 107983493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).