The (Benzothiazol-2-yl)-(Z)-2-trityloxyimino-2-(2-aminothiazole-4-yl)-thioacetate, with the CAS register number 143183-03-3, has the systematic name of S-1,3-benzothiazol-2-yl (2Z)-(2-amino-1,3-thiazol-4-yl)[(trityloxy)imino]ethanethioate . Besides, it could also be called as s-2-benzothiazolyl(z)-2-(2-aminothiazol-4-yl)-2-trityloxyiminothioacetate ; (benzothiazol-2-yl)-(z)-2-trityimino-2-(2-aminothiazol-4-yl)thioac etate ; 2-mercaptobenzothiazolyl (z)-2-(2-aminothiazol-4-yl)-2-trityloxyiminoacetate ; 2-mercaptobenzothiazolyl-(z)-2-(2-aminothiazol-4-yl)-2-trityloxyiminoacetate ; s-2-benzothiazolyl(z)-2-(2-aminothiazol-4-yl)-2-trityloxyiminothioacetate (baem) ; s-2-benzothiazolyl(z)-2-(2-aminothiazol-4-yl)-2-trityloxyiminothioacetate(baem) .
The physical properties of this kind of chemical are as the followings:(1)#H bond acceptors: 6 ; (2)#H bond donors: 2 ; (3)#Freely Rotating Bonds: 9 ; (4)Polar Surface Area: 172.24 ; (5)Index of Refraction: 1.721 ; (6)Molar Refractivity: 167.409 cm3 ; (7)Molar Volume: 423.283 cm3 ; (8)Polarizability: 66.366 ×10-24 cm3 ; (9)Surface Tension: 59.817 dyne/cm ; (10)Density: 1.367 g/cm3 ; (11)Flash Point: 417.932 °C ; (12)Enthalpy of Vaporization: 111.74 kJ/mol ; (13)Boiling Point: 767.438 °C at 760 mmHg .
It is a kind of white to slight yellow crystalline powder and it is widely used in the pharmaceutics, such as being the cefdinir side chain.
In addition, you could refer to the following data information into the molecular structure:
SMILES:O=C(Sc1nc2ccccc2s1)C(=N\OC(c3ccccc3)(c4ccccc4)c5ccccc5)/c6nc(sc6)N
InChI:InChI=1/C31H22N4O2S3/c32-29-33-25(20-38-29)27(28(36)40-30-34-24-18-10-11-19-26(24)39-30)35-37-31(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-20H,(H2,32,33)/b35-27-
InChIKey:UYVFYQGIARQHJC-LSWMGQQCBE
As to the market information, there are many supplier in China, such as Advan Pharmachem Co., Ltd , Hangzhou Cofna Biochemical Co., Ltd. and Leawell International Limited in Hongkong.
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