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Chemical structure of Saccharin-d4

GC77094

Saccharin-d4

Also known as 4,5,6,7-tetradeuterio-1,1-dioxo-1,2-benzothiazol-3-one

Saccharin-d4 is the deuterium labeled Saccharin

ChemicalCAS1189466-17-8MW187.21FormulaC7HD4NO3S
CAS number
1189466-17-8
Molecular weight
187.21
Formula
C7HD4NO3S
Solubility
DMSO: 100 mg/mL (534·16 mM; Need ultrasonic and warming)
InChIKey
CVHZOJJKTDOEJC-RHQRLBAQSA-N
Catalogue number
GC77094
Brand
GLPBIO
Computed properties PubChem CID 46782906 · XLogP 0.9 · TPSA 71.6 Ų · H-bond donors 1
XLogP
0.9
TPSA
71.6 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
12

SMILES [2H]C1=C(C(=C2C(=C1[2H])C(=O)NS2(=O)=O)[2H])[2H]

Computed descriptors from PubChem (CID 46782906), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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