(4-Bromo-1,3-thiazol-2-yl)methanol

C4H4BrNOSCAS 204513-31-5194.05 g/mol

Open in Covalent MOL file
NSHOBr
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 the 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
204513-31-5
SMILES
C1=C(N=C(S1)CO)Br
InChIKey
FLYOCGYCIHPZRF-UHFFFAOYSA-N
InChI
InChI=1S/C4H4BrNOS/c5-3-2-8-4(1-7)6-3/h2,7H,1H2

Weigh it out

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Names and synonyms

1 names
  • (4-Bromo-thiazol-2-yl)-methanol

Work with (4-Bromo-1,3-thiazol-2-yl)methanol

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

2,4-Dibromothiazole4175-77-346 % similar 4-Bromo-2-methyl-1,3-thiazole298694-30-143 % similar 4-Bromo-1,3-thiazol-2-amine502145-18-843 % similar 4-Bromo-1,3-thiazole-2-carboxylic acid88982-82-540 % similar (6-Bromopyridin-2-yl)methanol33674-96-339 % similar 1,3-Thiazol-2-ylmethanol14542-12-239 % similar 2-(Dimethylaminomethyl)-4-thiazolemethanol78441-69-738 % similar (6-Bromo-pyridin-3-yl)-methanol122306-01-835 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-4-hydroxymethylthiazole5198-86-7 2-Bromo-5-hydroxymethylthiazole687636-93-7

Elsewhere

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