chempirical

3-Chloro-4-morpholino-1,2,5-thiadiazole

C6H8ClN3OSCAS 30165-96-9205.66 g/mol

Open in Covalent MOL file
ClNSNNO
Aryl halideEtherTertiary amine

Properties

Molecular formula
C6H8ClN3OS
Molar mass
205.66 g/mol
Exact mass
205.0077 Da
Melting point
43–45 °C
logP
1.03Crippen estimate
Polar surface area
38.3 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
1

Identifiers

CAS number
30165-96-9
SMILES
Clc1nsnc1N1CCOCC1
InChIKey
LAUCCQWGVCJGFT-UHFFFAOYSA-N
InChI
InChI=1S/C6H8ClN3OS/c7-5-6(9-12-8-5)10-1-3-11-4-2-10/h1-4H2

Weigh it out

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

Names and synonyms

5 names
  • 4-(4-Chloro-1,2,5-thiadiazol-3-yl)morpholine
  • Morpholine, 4-(4-chloro-1,2,5-thiadiazol-3-yl)-
  • 1,2,5-Thiadiazole, morpholine deriv.
  • 3-Morpholino-4-chloro-1,2,5-thiadiazole
  • 3-Chloro-4-morpholin-4-yl-1,2,5-thiadiazole

Work with 3-Chloro-4-morpholino-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

3,4-Dichloro-1,2,5-thiadiazole5728-20-141 % similar 2,4-Dichloro-6-morpholino-1,3,5-triazine6601-22-540 % similar 4-(4,6-Dichloropyrimidin-2-yl)morpholine10397-13-438 % similar Timolol26839-75-837 % similar 4-Phenylmorpholine92-53-535 % similar N-Phenylaza-15-crown-566750-10-534 % similar 4,4'-(6-Chloropyrimidine-2,4-diyl)dimorpholine10244-24-334 % similar 3-Morpholinoaniline159724-40-033 % similar

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

Same formula

S-(2-Pyridyl)isothiuronium N-oxide hydrochloride2770-93-6

Elsewhere

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