2-Bromo-5-hydroxymethylthiazole

C4H4BrNOSCAS 687636-93-7194.05 g/mol

Open in Covalent MOL file
SNBrOH
AlcoholAryl halide

Properties

Molecular formula
C4H4BrNOS
Molar mass
194.05 g/mol
Exact mass
192.9197 Da
logP
1.40Crippen estimate
Polar surface area
33.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 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
687636-93-7
SMILES
C1=C(SC(=N1)Br)CO
InChIKey
DWNJWSPPORNJGV-UHFFFAOYSA-N
InChI
InChI=1S/C4H4BrNOS/c5-4-6-1-3(2-7)8-4/h1,7H,2H2

Weigh it out

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

Names and synonyms

1 names
  • (2-Bromo-1,3-thiazol-5-yl)methanol

Work with 2-Bromo-5-hydroxymethylthiazole

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-Dibromothiazole4175-78-446 % similar 2-Bromo-5-methylthiazole41731-23-143 % similar 5-Bromo-2-thiophenemethanol79387-71-642 % similar 2-Bromo-5-thiazolecarboxylic acid54045-76-040 % similar 2-Bromo-5-fomylthiazole464192-28-739 % similar 5-Thiazolylmethanol38585-74-939 % similar 2-Bromo-5-nitrothiazole3034-48-836 % similar (6-Bromo-pyridin-3-yl)-methanol122306-01-835 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(4-Bromo-1,3-thiazol-2-yl)methanol204513-31-5 2-Bromo-4-hydroxymethylthiazole5198-86-7

Elsewhere

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