2-[bromo-(5-bromothiophen-3-yl)methyl]-3,5-dimethylthiophene

C11H10Br2S2 — CID 107964928

IUPAC2-[bromo-(5-bromothiophen-3-yl)methyl]-3,5-dimethylthiophene
SMILESCc1cc(C)c(C(Br)c2csc(Br)c2)s1
InChIInChI=1S/C11H10Br2S2/c1-6-3-7(2)15-11(6)10(13)8-4-9(12)14-5-8/h3-5,10H,1-2H3
InChIKeyKZXCXVXSBWQZFX-UHFFFAOYSA-N
MW366.14 g/mol
LogP5.67
Rot. Bonds2

About 2-[bromo-(5-bromothiophen-3-yl)methyl]-3,5-dimethylthiophene

2-[bromo-(5-bromothiophen-3-yl)methyl]-3,5-dimethylthiophene (PubChem CID 107964928) has the molecular formula C11H10Br2S2 and a molecular weight of 366.14 g/mol. Its IUPAC name is 2-[bromo-(5-bromothiophen-3-yl)methyl]-3,5-dimethylthiophene.

Molecular Properties

Compound Name2-[bromo-(5-bromothiophen-3-yl)methyl]-3,5-dimethylthiophene
PubChem CID107964928
Molecular FormulaC11H10Br2S2
Molecular Weight366.14 g/mol
Exact Mass363.86
IUPAC Name2-[bromo-(5-bromothiophen-3-yl)methyl]-3,5-dimethylthiophene
SMILESCc1cc(C)c(C(Br)c2csc(Br)c2)s1
InChIInChI=1S/C11H10Br2S2/c1-6-3-7(2)15-11(6)10(13)8-4-9(12)14-5-8/h3-5,10H,1-2H3
InChIKeyKZXCXVXSBWQZFX-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.14
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[bromo-(5-bromothiophen-3-yl)methyl]-3,5-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

2-[bromo-(5-iodothiophen-3-yl)methyl]-3,5-dimethylthiophene
CID 81158011
2-[bromo-(4-iodophenyl)methyl]-3,5-dimethylthiophene
CID 81158756
5-bromo-3-[bromo-(5-bromothiophen-3-yl)methyl]-2-methylthiophene
CID 107964861
3-bromo-5-[bromo-(5-bromothiophen-3-yl)methyl]-2-methylthiophene
CID 107965052
2-[bromo-(4-bromo-2-methylphenyl)methyl]-3,5-dimethylthiophene
CID 81158840
2-[bromo-(4-bromo-2-chlorophenyl)methyl]-3,5-dimethylthiophene
CID 81158554
2-[bromo-(2,5-dimethylphenyl)methyl]-3,5-dimethylthiophene
CID 81158563
2-[bromo-(3-ethylthiophen-2-yl)methyl]-3,5-dimethylthiophene
CID 81157909
2-[bromo-(2-bromo-4-chlorophenyl)methyl]-3,5-dimethylthiophene
CID 107992094
2-[bromo-(2,6-difluoro-3-methylphenyl)methyl]-3,5-dimethylthiophene
CID 82816050
2-[bromo-(5-chloro-2-fluorophenyl)methyl]-3,5-dimethylthiophene
CID 81158655
2-[bromo-(2-chloro-4-methylphenyl)methyl]-3,5-dimethylthiophene
CID 106863236

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(5-bromothiophen-3-yl)methyl]-3,5-dimethylthiophene?
The IUPAC name of 2-[bromo-(5-bromothiophen-3-yl)methyl]-3,5-dimethylthiophene (CID 107964928) is 2-[bromo-(5-bromothiophen-3-yl)methyl]-3,5-dimethylthiophene.
What is the SMILES notation for 2-[bromo-(5-bromothiophen-3-yl)methyl]-3,5-dimethylthiophene?
The canonical SMILES for 2-[bromo-(5-bromothiophen-3-yl)methyl]-3,5-dimethylthiophene is Cc1cc(C)c(C(Br)c2csc(Br)c2)s1.
What is the InChIKey of 2-[bromo-(5-bromothiophen-3-yl)methyl]-3,5-dimethylthiophene?
The InChIKey is KZXCXVXSBWQZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2S2/c1-6-3-7(2)15-11(6)10(13)8-4-9(12)14-5-8/h3-5,10H,1-2H3.
What are the key properties of 2-[bromo-(5-bromothiophen-3-yl)methyl]-3,5-dimethylthiophene?
2-[bromo-(5-bromothiophen-3-yl)methyl]-3,5-dimethylthiophene has a molecular weight of 366.14 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(5-bromothiophen-3-yl)methyl]-3,5-dimethylthiophene is sourced from PubChem (CID 107964928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).