chempirical

2,5-Dibromo-3-methylthiophene

C5H4Br2SCAS 13191-36-1255.96 g/mol

Open in Covalent MOL file
BrSBr
Aryl halide

Properties

Molecular formula
C5H4Br2S
Molar mass
255.96 g/mol
Exact mass
253.8400 Da
Density
1.972 g/mL (at 20 °C)
Melting point
130–132 °C
Boiling point
55 °C (at 2 Torr)
logP
3.58Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
13191-36-1
SMILES
Cc1cc(Br)sc1Br
InChIKey
IHFXZROPBCBLLG-UHFFFAOYSA-N
InChI
InChI=1S/C5H4Br2S/c1-3-2-4(6)8-5(3)7/h2H,1H3

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Names and synonyms

2 names
  • Thiophene, 2,5-dibromo-3-methyl-
  • 3-Methyl-2,5-dibromothiophene

Work with 2,5-Dibromo-3-methylthiophene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,3,5-Tribromothiophene3141-24-052 % similar 2,5-Dibromo-3-butylthiophene116971-10-942 % similar 2,5-Dibromo-3-hexylthiophene116971-11-040 % similar 2-Bromo-3-methylthiophene14282-76-939 % similar 3,3',5,5'-Tetrabromo-2,2'-bithiophene125143-53-537 % similar 2,5-Dibromo-P-xylene1074-24-436 % similar 2-Bromo-5-methylthiophene765-58-236 % similar 1,5-Dibromo-2,4-dimethylbenzene615-87-235 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook