2,3,5-Tribromo-4-methylthiophene

C5H3Br3SCAS 67869-13-0334.85 g/mol

Open in Covalent MOL file
BrSBrBr
Aryl halide

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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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 1,5-Dibromo-2,4-bis-bromomethyl-benzene35510-03-335 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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