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Chemical structure of Isoprothiolane-d4

GC71711

Isoprothiolane-d4

Also known as dipropan-2-yl 2-(4,4,5,5-tetradeuterio-1,3-dithiolan-2-ylidene)propanedioate

Isoprothiolane-d4 is the deuterium labeled Isoprothiolane

ChemicalCAS1715020-82-8MW294.42FormulaC12H14D4O4S2
CAS number
1715020-82-8
Molecular weight
294.42
Formula
C12H14D4O4S2
InChIKey
UFHLMYOGRXOCSL-NZLXMSDQSA-N
Catalogue number
GC71711
Brand
GLPBIO
Computed properties PubChem CID 71749487 · XLogP 3.3 · TPSA 103 Ų · H-bond donors 0
XLogP
3.3
TPSA
103 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
18

SMILES [2H]C1(C(SC(=C(C(=O)OC(C)C)C(=O)OC(C)C)S1)([2H])[2H])[2H]

Computed descriptors from PubChem (CID 71749487), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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