2-Bromo-5-methylthiophene
Properties
- Molecular formula
- C5H5BrS
- Molar mass
- 177.06 g/mol
- Exact mass
- 175.9295 Da
- Density
- 1.552 g/mL (at 20 °C)
- Boiling point
- 178 °C
- logP
- 2.82Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H227 Combustible liquid33.3% of notifiers
- H302+H312 Harmful if swallowed or in contact with skin33.3% of notifiers
- H302 Harmful if swallowed66.7% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled33.3% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P501
Identifiers
CAS number
765-58-2SMILES
Cc1ccc(Br)s1InChIKey
ACDLOOGOFKSUPO-UHFFFAOYSA-NInChI
InChI=1S/C5H5BrS/c1-4-2-3-5(6)7-4/h2-3H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- Thiophene, 2-bromo-5-methyl-
- 5-Bromo-2-methylthiophene
- 5-Methyl-2-bromothiophene
Work with 2-Bromo-5-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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2,5-Dibromothiophene3141-27-358 % similar
2,5-Dimethylthiophene638-02-858 % similar
5,5'-Dibromo-2,2'-bithiophene4805-22-550 % similar
5,5''-Dibromo-[2,2':5',2"]terthiohene98057-08-048 % similar
2-Iodo-5-methylthiophene16494-36-344 % similar
2-Chloro-5-methylthiophene17249-82-044 % similar
2-Bromo-5-chlorothiophene2873-18-944 % similar
2-Acetyl-5-bromothiophene5370-25-240 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.