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Chemical structure of RT-NH2

GC39433

RT-NH2

Also known as (E)-3-[7-(azetidin-1-yl)-2-oxochromen-3-yl]-2-cyanoprop-2-enamide

RT-NH2 is a RealThiol prototype without the carboxylic acid groups

ChemicalCAS2321343-06-8MW295.29FormulaC16H13N3O3
CAS number
2321343-06-8
Molecular weight
295.29
Formula
C16H13N3O3
Solubility
Soluble in DMSO
InChIKey
ACUFSVRPYXSWCJ-KPKJPENVSA-N
Catalogue number
GC39433
Brand
GLPBIO
Computed properties PubChem CID 131953035 · XLogP 1.4 · TPSA 96.4 Ų · H-bond donors 1
XLogP
1.4
TPSA
96.4 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
22

SMILES C1CN(C1)C2=CC3=C(C=C2)C=C(C(=O)O3)/C=C(\C#N)/C(=O)N

Computed descriptors from PubChem (CID 131953035), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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