3-bromo-2-[bromo-(2,4,6-trimethylphenyl)methyl]thiophene

C14H14Br2S — CID 63796148

IUPAC3-bromo-2-[bromo-(2,4,6-trimethylphenyl)methyl]thiophene
SMILESCc1cc(C)c(C(Br)c2sccc2Br)c(C)c1
InChIInChI=1S/C14H14Br2S/c1-8-6-9(2)12(10(3)7-8)13(16)14-11(15)4-5-17-14/h4-7,13H,1-3H3
InChIKeyQMCFSPGSJSNJLW-UHFFFAOYSA-N
MW374.14 g/mol
LogP5.92
Rot. Bonds2

About 3-bromo-2-[bromo-(2,4,6-trimethylphenyl)methyl]thiophene

3-bromo-2-[bromo-(2,4,6-trimethylphenyl)methyl]thiophene (PubChem CID 63796148) has the molecular formula C14H14Br2S and a molecular weight of 374.14 g/mol. Its IUPAC name is 3-bromo-2-[bromo-(2,4,6-trimethylphenyl)methyl]thiophene.

Molecular Properties

Compound Name3-bromo-2-[bromo-(2,4,6-trimethylphenyl)methyl]thiophene
PubChem CID63796148
Molecular FormulaC14H14Br2S
Molecular Weight374.14 g/mol
Exact Mass371.92
IUPAC Name3-bromo-2-[bromo-(2,4,6-trimethylphenyl)methyl]thiophene
SMILESCc1cc(C)c(C(Br)c2sccc2Br)c(C)c1
InChIInChI=1S/C14H14Br2S/c1-8-6-9(2)12(10(3)7-8)13(16)14-11(15)4-5-17-14/h4-7,13H,1-3H3
InChIKeyQMCFSPGSJSNJLW-UHFFFAOYSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.14
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-bromo-2-[bromo-(2,4,6-trimethylphenyl)methyl]thiophene 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-[bromo-(4-bromo-2,6-difluorophenyl)methyl]thiophene
CID 80537267
3-[bromo-(3-bromothiophen-2-yl)methyl]-2,5-dimethylthiophene
CID 63797512
2-[bromo-(4-bromo-3-methylphenyl)methyl]-1,3,5-trimethylbenzene
CID 113396942
3-bromo-2-[(5-bromo-2-methylphenyl)-chloromethyl]thiophene
CID 80535928
2-[bromo-(2-bromo-5-methylphenyl)methyl]-1,3,5-trimethylbenzene
CID 81112447
N-[(3-bromothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methyl]propan-1-amine
CID 106682117
1-(3-bromothiophen-2-yl)-N-ethyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 115828971
1-(3-bromothiophen-2-yl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine
CID 106877700
3-bromo-2-[bromo-(3,5-dimethoxyphenyl)methyl]thiophene
CID 80536988
5-[(3-bromothiophen-2-yl)-chloromethyl]-2,3-dimethylthiophene
CID 80537402
2-[bromo-(3,4-dimethylphenyl)methyl]-1,3,5-trimethylbenzene
CID 55197972
2-[bromo-(2-bromo-6-fluorophenyl)methyl]-1,3,5-trimethylbenzene
CID 114560632

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[bromo-(2,4,6-trimethylphenyl)methyl]thiophene?
The IUPAC name of 3-bromo-2-[bromo-(2,4,6-trimethylphenyl)methyl]thiophene (CID 63796148) is 3-bromo-2-[bromo-(2,4,6-trimethylphenyl)methyl]thiophene.
What is the SMILES notation for 3-bromo-2-[bromo-(2,4,6-trimethylphenyl)methyl]thiophene?
The canonical SMILES for 3-bromo-2-[bromo-(2,4,6-trimethylphenyl)methyl]thiophene is Cc1cc(C)c(C(Br)c2sccc2Br)c(C)c1.
What is the InChIKey of 3-bromo-2-[bromo-(2,4,6-trimethylphenyl)methyl]thiophene?
The InChIKey is QMCFSPGSJSNJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2S/c1-8-6-9(2)12(10(3)7-8)13(16)14-11(15)4-5-17-14/h4-7,13H,1-3H3.
What are the key properties of 3-bromo-2-[bromo-(2,4,6-trimethylphenyl)methyl]thiophene?
3-bromo-2-[bromo-(2,4,6-trimethylphenyl)methyl]thiophene has a molecular weight of 374.14 g/mol, XLogP of 5.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[bromo-(2,4,6-trimethylphenyl)methyl]thiophene is sourced from PubChem (CID 63796148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).