chempirical

5-Bromo-2-thiophenemethanol

C5H5BrOSCAS 79387-71-6193.06 g/mol

Open in Covalent MOL file
HOBrS
AlcoholAryl halide

Properties

Molecular formula
C5H5BrOS
Molar mass
193.06 g/mol
Exact mass
191.9244 Da
logP
2.00Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
79387-71-6
SMILES
OCc1ccc(Br)s1
InChIKey
DBRSLMCLMMFHEF-UHFFFAOYSA-N
InChI
InChI=1S/C5H5BrOS/c6-5-2-1-4(3-7)8-5/h1-2,7H,3H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • 2-Thiophenemethanol, 5-bromo-
  • 5-Bromo-2-(hydroxymethyl)thiophene
  • (5-Bromothiophen-2-yl)methanol
  • (5-Bromo-2-thienyl)methanol

Work with 5-Bromo-2-thiophenemethanol

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

2,5-Dibromothiophene3141-27-350 % similar 5,5′-(2,5-Furandiyl)bis[2-thiophenemethanol]213261-59-745 % similar 5-Bromo-2-thiophenecarboxylic acid7311-63-941 % similar 2-Bromo-5-chlorothiophene2873-18-939 % similar 2-Bromo-5-methylthiophene765-58-239 % similar 2-Thiophenemethanol636-72-638 % similar Benzo[B]thiophene-2-methanol17890-56-136 % similar 2-Bromo-5-phenylthiophene29488-24-235 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook