3-bromo-2-[chloro-(2-chlorophenyl)methyl]-5-methylthiophene

C12H9BrCl2S — CID 65279022

IUPAC3-bromo-2-[chloro-(2-chlorophenyl)methyl]-5-methylthiophene
SMILESCc1cc(Br)c(C(Cl)c2ccccc2Cl)s1
InChIInChI=1S/C12H9BrCl2S/c1-7-6-9(13)12(16-7)11(15)8-4-2-3-5-10(8)14/h2-6,11H,1H3
InChIKeyIJDMMFKOMSIGCN-UHFFFAOYSA-N
MW336.08 g/mol
LogP5.80
Rot. Bonds2

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

3-bromo-2-[chloro-(2-chlorophenyl)methyl]-5-methylthiophene (PubChem CID 65279022) has the molecular formula C12H9BrCl2S and a molecular weight of 336.08 g/mol. Its IUPAC name is 3-bromo-2-[chloro-(2-chlorophenyl)methyl]-5-methylthiophene.

Molecular Properties

Compound Name3-bromo-2-[chloro-(2-chlorophenyl)methyl]-5-methylthiophene
PubChem CID65279022
Molecular FormulaC12H9BrCl2S
Molecular Weight336.08 g/mol
Exact Mass333.90
IUPAC Name3-bromo-2-[chloro-(2-chlorophenyl)methyl]-5-methylthiophene
SMILESCc1cc(Br)c(C(Cl)c2ccccc2Cl)s1
InChIInChI=1S/C12H9BrCl2S/c1-7-6-9(13)12(16-7)11(15)8-4-2-3-5-10(8)14/h2-6,11H,1H3
InChIKeyIJDMMFKOMSIGCN-UHFFFAOYSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.08
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-bromo-2-[chloro-(2-chlorophenyl)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

3-bromo-2-[chloro-(3-chloro-2-fluorophenyl)methyl]-5-methylthiophene
CID 81262291
3-bromo-2-[bromo-(2-chlorophenyl)methyl]-5-methylthiophene
CID 65278669
1-(3-bromo-5-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 65279769
3-bromo-2-[(2-bromo-4-chlorophenyl)-chloromethyl]-5-methylthiophene
CID 107991928
(3-bromo-5-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanamine
CID 107096553
3-bromo-2-[chloro-(4-chlorophenyl)methyl]-5-methylthiophene
CID 65278975
3-bromo-2-[chloro-(2,5-dimethoxyphenyl)methyl]-5-methylthiophene
CID 65278453
3-bromo-2-[chloro-(5-methylthiophen-2-yl)methyl]-5-methylthiophene
CID 65278499
3-bromo-2-[chloro-(3-chloro-4-fluorophenyl)methyl]-5-methylthiophene
CID 82879562
3-bromo-2-[chloro-(4-methylthiophen-2-yl)methyl]-5-methylthiophene
CID 131203850
3-bromo-2-[chloro-(3,4-dimethylphenyl)methyl]-5-methylthiophene
CID 65278713
3-bromo-2-[chloro-(4,5-dimethylthiophen-2-yl)methyl]-5-methylthiophene
CID 65278388

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[chloro-(2-chlorophenyl)methyl]-5-methylthiophene?
The IUPAC name of 3-bromo-2-[chloro-(2-chlorophenyl)methyl]-5-methylthiophene (CID 65279022) is 3-bromo-2-[chloro-(2-chlorophenyl)methyl]-5-methylthiophene.
What is the SMILES notation for 3-bromo-2-[chloro-(2-chlorophenyl)methyl]-5-methylthiophene?
The canonical SMILES for 3-bromo-2-[chloro-(2-chlorophenyl)methyl]-5-methylthiophene is Cc1cc(Br)c(C(Cl)c2ccccc2Cl)s1.
What is the InChIKey of 3-bromo-2-[chloro-(2-chlorophenyl)methyl]-5-methylthiophene?
The InChIKey is IJDMMFKOMSIGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2S/c1-7-6-9(13)12(16-7)11(15)8-4-2-3-5-10(8)14/h2-6,11H,1H3.
What are the key properties of 3-bromo-2-[chloro-(2-chlorophenyl)methyl]-5-methylthiophene?
3-bromo-2-[chloro-(2-chlorophenyl)methyl]-5-methylthiophene has a molecular weight of 336.08 g/mol, XLogP of 5.80, 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-chlorophenyl)methyl]-5-methylthiophene is sourced from PubChem (CID 65279022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).