3-(2,2-dibromoethyl)thiophene

C6H6Br2S — CID 174416053

IUPAC3-(2,2-dibromoethyl)thiophene
SMILESBrC(Br)Cc1ccsc1
InChIInChI=1S/C6H6Br2S/c7-6(8)3-5-1-2-9-4-5/h1-2,4,6H,3H2
InChIKeyOIMGUUGAFYIPRQ-UHFFFAOYSA-N
MW269.99 g/mol
LogP3.41
Rot. Bonds2

About 3-(2,2-dibromoethyl)thiophene

3-(2,2-dibromoethyl)thiophene (PubChem CID 174416053) has the molecular formula C6H6Br2S and a molecular weight of 269.99 g/mol. Its IUPAC name is 3-(2,2-dibromoethyl)thiophene.

Molecular Properties

Compound Name3-(2,2-dibromoethyl)thiophene
PubChem CID174416053
Molecular FormulaC6H6Br2S
Molecular Weight269.99 g/mol
Exact Mass267.86
IUPAC Name3-(2,2-dibromoethyl)thiophene
SMILESBrC(Br)Cc1ccsc1
InChIInChI=1S/C6H6Br2S/c7-6(8)3-5-1-2-9-4-5/h1-2,4,6H,3H2
InChIKeyOIMGUUGAFYIPRQ-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.99
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(4-bromo-2-methylpentyl)thiophene
CID 64721699
3-(2-bromo-4,4-dimethylpentyl)thiophene
CID 63542905
3-(2-fluoropropyl)thiophene
CID 74766003
3-[(2S)-2,3-dimethylbutyl]thiophene
CID 130210876
3-(2-ethylbutyl)thiophene
CID 89133993
3-(2-bromoicosyl)thiophene
CID 89438780
3-(2-bromo-3-methylsulfonylbutyl)thiophene
CID 104522152
3-(2-bromotridecyl)thiophene
CID 65428156
2-(1-bromo-2-thiophen-3-ylethyl)-5-methylthiophene
CID 63016860
3-[2-bromo-2-(4-tert-butylphenyl)ethyl]thiophene
CID 63544455
1-(4-iodophenyl)-3-thiophen-3-ylpropan-2-ol
CID 105101095
3-methyl-1-thiophen-3-ylbutan-2-ol
CID 62605936

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dibromoethyl)thiophene?
The IUPAC name of 3-(2,2-dibromoethyl)thiophene (CID 174416053) is 3-(2,2-dibromoethyl)thiophene.
What is the SMILES notation for 3-(2,2-dibromoethyl)thiophene?
The canonical SMILES for 3-(2,2-dibromoethyl)thiophene is BrC(Br)Cc1ccsc1.
What is the InChIKey of 3-(2,2-dibromoethyl)thiophene?
The InChIKey is OIMGUUGAFYIPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Br2S/c7-6(8)3-5-1-2-9-4-5/h1-2,4,6H,3H2.
What are the key properties of 3-(2,2-dibromoethyl)thiophene?
3-(2,2-dibromoethyl)thiophene has a molecular weight of 269.99 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dibromoethyl)thiophene is sourced from PubChem (CID 174416053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).