1,2,3-Thiadiazole-4-carbaldehyde

C₃H₂N₂OSCAS 27643-15-8114.12 g/mol

Open in Covalent MOL file

Aldehyde

Properties

Molecular formula: C₃H₂N₂OS
Molar mass: 114.12 g/mol
Exact mass: 113.9888 Da
logP: 0.35Crippen estimate
Polar surface area: 42.9 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed28.6% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 7 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

27643-15-8

SMILES

C1=C(N=NS1)C=O

InChIKey

JNEBZFFTOLBIKJ-UHFFFAOYSA-N

InChI

InChI=1S/C3H2N2OS/c6-1-3-2-7-5-4-3/h1-2H

Weigh it out

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

Work with 1,2,3-Thiadiazole-4-carbaldehyde

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

Thiazole-4-carboxaldehyde3364-80-543 % similar 2-Methyl-1,3-thiazole-4-carbaldehyde20949-84-239 % similar 2,6-Diformylpyridine5431-44-737 % similar 2,5-Thiophenedicarboxaldehyde932-95-635 % similar 1,2,3-Thiadiazole-4-carboxylic acid4100-13-434 % similar Pyridine-2-carbaldehyde1121-60-433 % similar Oxazole-4-carbaldehyde118994-84-633 % similar 2,2'-Bipyridine-6,6'-dicarbaldehyde49669-26-333 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook