chempirical

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

C2Cl2N2SCAS 5728-20-1155.00 g/mol

Open in Covalent MOL file
ClNSNCl
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 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
5728-20-1
SMILES
Clc1nsnc1Cl
InChIKey
YNZQOVYRCBAMEU-UHFFFAOYSA-N
InChI
InChI=1S/C2Cl2N2S/c3-1-2(4)6-7-5-1

Weigh it out

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

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 Pentachloropyridine2176-62-732 % similar 2,1,3-Benzothiadiazole273-13-230 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook