4,5-dibromothiophene-2-carbonyl bromide

C5HBr3OS — CID 15753564

IUPAC4,5-dibromothiophene-2-carbonyl bromide
SMILESO=C(Br)c1cc(Br)c(Br)s1
InChIInChI=1S/C5HBr3OS/c6-2-1-3(4(7)9)10-5(2)8/h1H
InChIKeyQHUBEWQQYINVPI-UHFFFAOYSA-N
MW348.84 g/mol
LogP3.81
Rot. Bonds1

About 4,5-dibromothiophene-2-carbonyl bromide

4,5-dibromothiophene-2-carbonyl bromide (PubChem CID 15753564) has the molecular formula C5HBr3OS and a molecular weight of 348.84 g/mol. Its IUPAC name is 4,5-dibromothiophene-2-carbonyl bromide.

Molecular Properties

Compound Name4,5-dibromothiophene-2-carbonyl bromide
PubChem CID15753564
Molecular FormulaC5HBr3OS
Molecular Weight348.84 g/mol
Exact Mass345.73
IUPAC Name4,5-dibromothiophene-2-carbonyl bromide
SMILESO=C(Br)c1cc(Br)c(Br)s1
InChIInChI=1S/C5HBr3OS/c6-2-1-3(4(7)9)10-5(2)8/h1H
InChIKeyQHUBEWQQYINVPI-UHFFFAOYSA-N
XLogP3.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.84
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,5-dibromothiophene-2-carbonyl bromide 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

lithium 4,5-dibromothiophene-2-carboxylate
CID 19205739
2-bromo-1-(4,5-dibromothiophen-2-yl)propan-1-one
CID 80532508
1-(4,5-dibromothiophen-2-yl)-3-methylbut-2-en-1-one
CID 115780757
4,5-dibromo-N-(2-bromoprop-2-enyl)thiophene-2-carboxamide
CID 47439346
4,5-dibromo-N-tert-butylthiophene-2-carboxamide
CID 15790561
cyclobutyl-(4,5-dibromothiophen-2-yl)methanone
CID 80532639
1-(4,5-dibromothiophen-2-yl)-2-(4-fluorophenyl)ethanone
CID 80532635
1-(4,5-dibromothiophen-2-yl)-2-(4-ethylphenyl)ethanone
CID 114963430
4,5-dibromo-N-(dicyclopropylmethyl)thiophene-2-carboxamide
CID 31030719
3-bicyclo[3.1.0]hexanyl-(4,5-dibromothiophen-2-yl)methanone
CID 80532576
[(4,5-dibromothiophene-2-carbonyl)amino]-trimethylazanium iodide
CID 110191045
1-(4,5-dibromothiophen-2-yl)-3-methylbut-3-en-1-one
CID 115780483

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromothiophene-2-carbonyl bromide?
The IUPAC name of 4,5-dibromothiophene-2-carbonyl bromide (CID 15753564) is 4,5-dibromothiophene-2-carbonyl bromide.
What is the SMILES notation for 4,5-dibromothiophene-2-carbonyl bromide?
The canonical SMILES for 4,5-dibromothiophene-2-carbonyl bromide is O=C(Br)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromothiophene-2-carbonyl bromide?
The InChIKey is QHUBEWQQYINVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HBr3OS/c6-2-1-3(4(7)9)10-5(2)8/h1H.
What are the key properties of 4,5-dibromothiophene-2-carbonyl bromide?
4,5-dibromothiophene-2-carbonyl bromide has a molecular weight of 348.84 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromothiophene-2-carbonyl bromide is sourced from PubChem (CID 15753564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).