2-(TRIBUTYLSTANNYL)THIAZOLE

The Thiazole,2-(tributylstannyl)- with CAS registry number of 121359-48-6 is also known as 2-(Tributylstannyl)thiazole. The IUPAC name is Tributyl(1,3-thiazol-2-yl)stannane. It belongs to product categories of Organostannes; Thiazole; Tributylstanny; Organometallic Reagents; Organotin; Organotins. In addition, the formula is C₁₅H₂₉NSSn and the molecular weight is 374.17. This chemical at low levels causes damage to health. It may cause inflammation to the skin or other mucous membranes. What's more, it may present an immediate or delayed danger to one or more components of the environment. It should be stored in sealed containers away from oxidants.

Physical properties about Thiazole,2-(tributylstannyl)- are: (1)ACD/LogP: 9.19; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.19; (4)ACD/LogD (pH 7.4): 9.19; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 2375272; (8)ACD/KOC (pH 7.4): 2377469; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 10; (11)Flash Point: 172.6 °C; (12)Enthalpy of Vaporization: 58.37 kJ/mol; (13)Boiling Point: 361.7 °C at 760 mmHg; (14)Vapour Pressure: 4.23E-05 mmHg at 25 °C.

Uses of Thiazole,2-(tributylstannyl)-: it is used to produce 6-thiazol-2-yl-1H-indole by stille cross-coupling reaction with 6-iodoindole. The reaction occurs with reagent CuI, catalyst [Pd(PPh₃)₄] and solvent dimethylformamide at the temperature of 60 °C for 0.5 hour. The yield is about 77%.

When you are using this chemical, please be cautious about it. As a chemical, it irritates to eyes and skin, and it also has danger of serious damage to health by prolonged exposure through inhalation and if swallowed. Furthermore, it is very toxic to aquatic organisms that may cause long-term adverse effects in the aquatic environment. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible). Avoid release to the environment. After using it, this material and its container must be disposed of as hazardous waste in a safe way.

Addtionally, the following datas could be converted into the molecular structure:
1. SMILES: n1ccsc1[Sn](CCCC)(CCCC)CCCC
2. InChI: InChI=1/3C4H9.C3H2NS.Sn/c3*1-3-4-2;1-2-5-3-4-1;/h3*1,3-4H2,2H3;1-2H;/rC15H29NSSn/c1-4-7-12-18(13-8-5-2,14-9-6-3)15-16-10-11-17-15/h10-11H,4-9,12-14H2,1-3H3
3. InChIKey: WUOFQGMXQCSPPV-LMBSCFLOAM