5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole

C9H14BNO2SCAS 1086111-09-2211.09 g/mol

Open in Covalent MOL file
BOONS
Boronic ester

Properties

Molecular formula
C9H14BNO2S
Molar mass
211.09 g/mol
Exact mass
211.0838 Da
logP
1.44Crippen estimate
Polar surface area
31.4 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number
1086111-09-2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=CS2
InChIKey
ODYWLZYOVWNCGN-UHFFFAOYSA-N
InChI
InChI=1S/C9H14BNO2S/c1-8(2)9(3,4)13-10(12-8)7-5-11-6-14-7/h5-6H,1-4H3

Weigh it out

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

Names and synonyms

1 names
  • 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiazole

Work with 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole

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

Thiophene-2-boronic acid pinacol ester193978-23-350 % similar Pyrimidine-5-boronic acid pinacol ester321724-19-048 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine181219-01-244 % similar 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carbaldehyde1040281-83-144 % similar 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine329214-79-143 % similar 5-Chlorothiophene-2-boronic acid pinacol ester635305-24-743 % similar 1,3,5-Phenyltriboronic acid, pinacol ester365564-05-242 % similar 2,2'-(1,4-Phenylene)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)99770-93-142 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook