2,3,5-Tribromo-4-methylthiophene

C₅H₃Br₃SCAS 67869-13-0334.85 g/mol

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Properties

Molecular formula: C₅H₃Br₃S
Molar mass: 334.85 g/mol
Exact mass: 331.7506 Da
logP: 4.34Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

67869-13-0

SMILES

Cc1c(Br)sc(Br)c1Br

InChIKey

DTLNXOZXOZCNMX-UHFFFAOYSA-N

InChI

InChI=1S/C5H3Br3S/c1-2-3(6)5(8)9-4(2)7/h1H3

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Names and synonyms

3 names

Thiophene, 2,3,5-tribromo-4-methyl-
3-Methyl-2,4,5-tribromothiophene
2,4,5-Tribromo-3-methylthiophene

Work with 2,3,5-Tribromo-4-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

Tetrabromothiophene3958-03-058 % similar 1,4-Dibromo-2,3,5,6-tetramethylbenzene1646-54-445 % similar 2,3,5,6-Tetrabromo-P-xylene23488-38-245 % similar 1,3,5-Tribromo-2,4,6-trimethylbenzene608-72-045 % similar 1-Bromo-2,3,4,5,6-pentamethylbenzene5153-40-243 % similar Pentabromotoluene87-83-243 % similar 3-Bromo-1,2,4,5-tetramethylbenzene1646-53-335 % similar 2,3,5,6-Tetrabromo-4-methylphenol37721-75-835 % similar

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

Elsewhere

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