5-Isobutyl[1,3,4]thiadiazol-2-ylamine

CAS: 52057-89-3

Ref. 3D-FI42870

Product Information

• Name: 5-Isobutyl[1,3,4]thiadiazol-2-ylamine
• Synonyms: 1,3,4-Thiadiazol-2-amine, 5-(2-methylpropyl)-, 5-Isobutyl-1,3,4-thiadiazol-2-amine

Description

5-Isobutyl-[1,3,4]thiadiazol-2-ylamine is a crystalline compound with a monoclinic crystal system and a dihedral angle of 13.5°. The diffraction pattern is strong in the plane (100), with reflections from the space group P21/n and the point group C2/m. The molecule has two phenyl groups that are coplanar, which stabilizes it and leads to statistical distribution of molecules in the crystal structure. Single-crystal x-ray diffraction data was obtained for this compound by using an x-ray wavelength of 1.54 Å and an angle of incidence of 68° with respect to the crystal surface. The single-crystal x-ray diffraction data collected showed planar molecules, which are parallel to each other and have a spacing of 0.36 nm between them.

• Brand: Biosynth

Chemical properties

• Molecular weight: 157.24 g/mol
• Formula: C₆H₁₁N₃S
• Purity: Min. 95%
• InChI: InChI=1S/C6H11N3S/c1-4(2)3-5-8-9-6(7)10-5/h4H,3H2,1-2H3,(H2,7,9)
• InChI key: InChIKey=GOGZJIYMDRZJII-UHFFFAOYSA-N
• SMILES: CC(C)Cc1nnc(N)s1