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The chemical with CAS registry number of 107426-70-0 is known as (p-Azidosalicylamido)ethyl-1,3'-dithiopropionic acid. The systematic name is 3-[2-[(4-Azido-2-hydroxy-benzoyl)amino]ethyldisulfanyl]propanoic acid. It belongs to product categories of Photoaffinity Labels; Cross Linking Reagents; MTS & Sulfhydryl Active Reagents. In addition, the formula is C15H18N4O4S2 and the molecular weight is 342.39. Besides, this chemical is a brown solid and it is used as a photo-reactive heterobifunctional cross-linker.
Physical properties about (p-Azidosalicylamido)ethyl-1,3'-dithiopropionic acid are: (1)ACD/LogP: 3.95; (2)ACD/LogD (pH 5.5): 2.67; (3)ACD/LogD (pH 7.4): 0.56; (4)#H bond acceptors: 8; (5)#H bond donors: 3; (6)#Freely Rotating Bonds: 10; (7)Polar Surface Area: 149.59Å2.
You can still convert the following datas into molecular structure:
1. SMILES: c1cc(c(cc1N=[N+]=[N-])O)C(=O)NCCSSCCC(=O)O
2. InChI: InChI=1/C12H14N4O4S2/c13-16-15-8-1-2-9(10(17)7-8)12(20)14-4-6-22-21-5-3-11(18)19/h1-2,7,17H,3-6H2,(H,14,20)(H,18,19)
3. InChIKey: AOMOESAZLQVHAJ-UHFFFAOYAY
4. Std. InChI: InChI=1S/C12H14N4O4S2/c13-16-15-8-1-2-9(10(17)7-8)12(20)14-4-6-22-21-5-3-11(18)19/h1-2,7,17H,3-6H2,(H,14,20)(H,18,19)
5. Std. InChIKey: AOMOESAZLQVHAJ-UHFFFAOYSA-N