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Chemical structure of 5-Chloro-2-methyl-3-isothiazolone-d3

GC72613

5-Chloro-2-methyl-3-isothiazolone-d3

Also listed as 5-Chloro-2-methylisothiazol-3(2H)-one-d3

5-Chloro-2-methylisothiazol-3(2H)-one-d3 is a deuterium labeled compound

ChemicalCAS1329611-34-8MW152.62FormulaC4HD3ClNOS
CAS number
1329611-34-8
Molecular weight
152.62
Formula
C4HD3ClNOS
InChIKey
DHNRXBZYEKSXIM-FIBGUPNXSA-N
Catalogue number
GC72613
Brand
GLPBIO
Computed properties PubChem CID 71314762 · XLogP 0.9 · TPSA 45.6 Ų · H-bond donors 0
XLogP
0.9
TPSA
45.6 Ų
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
8

SMILES [2H]C([2H])([2H])N1C(=O)C=C(S1)Cl

Computed descriptors from PubChem (CID 71314762), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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