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

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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-Chlorothiophen-2-yl)methanol74168-69-750 % similar 2-Bromo-5-hexylthiophene211737-28-945 % similar 2,5-Bis(5-hydroxymethyl-2-thienyl)furan213261-59-745 % similar 5,5'-Dibromo-2,2'-bithiophene4805-22-544 % similar 5,5''-Dibromo-[2,2':5',2"]terthiohene98057-08-042 % similar 2-Bromo-5-hydroxymethylthiazole687636-93-742 % similar 5-Bromothiophene-2-carboxylic acid7311-63-941 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(2-Bromothien-3-yl)methanol70260-16-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook