3,4-Dichloro-1,2,5-thiadiazole

C₂Cl₂N₂SCAS 5728-20-1155.00 g/mol

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Aryl halide

Properties

Molecular formula: C₂Cl₂N₂S
Molar mass: 155.00 g/mol
Exact mass: 153.9159 Da
Density: 1.642 g/mL (at 25 °C)
Boiling point: 85 °C (at NaN Torr)
logP: 1.84Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed15% of notifiers
H315 Causes skin irritation83.3% of notifiers
H319 Causes serious eye irritation83.3% of notifiers
H335 May cause respiratory irritation81.7% of notifiers
H412 Harmful to aquatic life with long lasting effects11.7% of notifiers

Aggregated from 60 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

5728-20-1

SMILES

Clc1nsnc1Cl

InChIKey

YNZQOVYRCBAMEU-UHFFFAOYSA-N

InChI

InChI=1S/C2Cl2N2S/c3-1-2(4)6-7-5-1

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Names and synonyms

2 names

1,2,5-Thiadiazole, 3,4-dichloro-
4,5-Dichloro-2,1,3-thiadiazole

Work with 3,4-Dichloro-1,2,5-thiadiazole

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

3-Chloro-4-morpholino-1,2,5-thiadiazole30165-96-941 % similar 2,3-Dichloropyrazine4858-85-933 % similar 5-Chlorobenzo-2,1,3-thiadiazole2207-32-132 % similar Pentachloropyridine2176-62-732 % similar 3-Chloro-1,2-benzisothiazole7716-66-731 % similar 2,1,3-Benzothiadiazole273-13-230 % similar 3,6-Dichloro-4,5-dimethylpyridazine34584-69-530 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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