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Chemical structure of 2-(Benzhydrylsulfinyl)acetic acid-d5

GC76949

2-(Benzhydrylsulfinyl)acetic acid-d5

Also known as 2-[(2,3,4,5,6-pentadeuteriophenyl)-phenylmethyl]sulfinylacetic acid

2-(Benzhydrylsulfinyl)acetic acid-d5 is deuterium labeled 2-(Benzhydrylsulfinyl)acetic acid

ChemicalCAS1185142-72-6MW279.37FormulaC15H9D5O3S
CAS number
1185142-72-6
Molecular weight
279.37
Formula
C15H9D5O3S
InChIKey
QARQPIWTMBRJFX-DYVTXVBDSA-N
Catalogue number
GC76949
Brand
GLPBIO
Computed properties PubChem CID 45039949 · XLogP 2.4 · TPSA 73.6 Ų · H-bond donors 1
XLogP
2.4
TPSA
73.6 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
19

SMILES [2H]C1=C(C(=C(C(=C1[2H])[2H])C(C2=CC=CC=C2)S(=O)CC(=O)O)[2H])[2H]

Computed descriptors from PubChem (CID 45039949), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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