chempirical

5-Chloroisothiazol-3-ol

C3H2ClNOSCAS 25629-58-7135.56 g/mol

Open in Covalent MOL file
SHNOCl
Aryl halide

Properties

Molecular formula
C3H2ClNOS
Molar mass
135.56 g/mol
Exact mass
134.9546 Da
logP
1.09Crippen estimate
Polar surface area
32.9 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
25629-58-7
SMILES
C1=C(SNC1=O)Cl
InChIKey
XFIPRDRBFGJGIZ-UHFFFAOYSA-N
InChI
InChI=1S/C3H2ClNOS/c4-2-1-3(6)5-7-2/h1H,(H,5,6)

Weigh it out

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Names and synonyms

1 names
  • 5-Chloro-3-hydroxyisothiazole

Work with 5-Chloroisothiazol-3-ol

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

4-Chloro-2-hydroxypyridine40673-25-432 % similar 6-Chloropyrimidin-4-ol4765-77-931 % similar Methylchloroisothiazolinone26172-55-430 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook