2,3-dibromo-5-(2-bromoethyl)thiophene

C6H5Br3S — CID 102844918

IUPAC2,3-dibromo-5-(2-bromoethyl)thiophene
SMILESBrCCc1cc(Br)c(Br)s1
InChIInChI=1S/C6H5Br3S/c7-2-1-4-3-5(8)6(9)10-4/h3H,1-2H2
InChIKeyWMNXGVGLCGGBRQ-UHFFFAOYSA-N
MW348.89 g/mol
LogP4.21
Rot. Bonds2

About 2,3-dibromo-5-(2-bromoethyl)thiophene

2,3-dibromo-5-(2-bromoethyl)thiophene (PubChem CID 102844918) has the molecular formula C6H5Br3S and a molecular weight of 348.89 g/mol. Its IUPAC name is 2,3-dibromo-5-(2-bromoethyl)thiophene.

Molecular Properties

Compound Name2,3-dibromo-5-(2-bromoethyl)thiophene
PubChem CID102844918
Molecular FormulaC6H5Br3S
Molecular Weight348.89 g/mol
Exact Mass345.77
IUPAC Name2,3-dibromo-5-(2-bromoethyl)thiophene
SMILESBrCCc1cc(Br)c(Br)s1
InChIInChI=1S/C6H5Br3S/c7-2-1-4-3-5(8)6(9)10-4/h3H,1-2H2
InChIKeyWMNXGVGLCGGBRQ-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.89
LogP ≤ 54.21
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

5-(4,5-dibromothiophen-2-yl)-N-methylpentan-1-amine
CID 80534928
(4,5-dibromothiophen-2-yl)methylhydrazine
CID 80536373
1-(4,5-dibromothiophen-2-yl)-N-methoxymethanamine
CID 102837054
2-[(4,5-dibromothiophen-2-yl)methylamino]propane-1,3-diol
CID 102836172
2-[(4,5-dibromothiophen-2-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107851057
5-(4,5-dibromothiophen-2-yl)-3,3-dimethyl-N-(2-methylpropyl)pentan-1-amine
CID 80535233
N-[(4,5-dibromothiophen-2-yl)methyl]-2-phenylethanamine
CID 102830487
2-[1-[2-(4,5-dibromothiophen-2-yl)ethyl]cyclohexyl]-N-methylethanamine
CID 80535027
N-[(4,5-dibromothiophen-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 102836416
N-[(4,5-dibromothiophen-2-yl)methyl]-3-phenylpropan-1-amine
CID 102830835
N-[(4,5-dibromothiophen-2-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107648126
1-(5-chlorothiophen-2-yl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine
CID 102835913

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-5-(2-bromoethyl)thiophene?
The IUPAC name of 2,3-dibromo-5-(2-bromoethyl)thiophene (CID 102844918) is 2,3-dibromo-5-(2-bromoethyl)thiophene.
What is the SMILES notation for 2,3-dibromo-5-(2-bromoethyl)thiophene?
The canonical SMILES for 2,3-dibromo-5-(2-bromoethyl)thiophene is BrCCc1cc(Br)c(Br)s1.
What is the InChIKey of 2,3-dibromo-5-(2-bromoethyl)thiophene?
The InChIKey is WMNXGVGLCGGBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br3S/c7-2-1-4-3-5(8)6(9)10-4/h3H,1-2H2.
What are the key properties of 2,3-dibromo-5-(2-bromoethyl)thiophene?
2,3-dibromo-5-(2-bromoethyl)thiophene has a molecular weight of 348.89 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-5-(2-bromoethyl)thiophene is sourced from PubChem (CID 102844918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).