Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
(Z)-2-(2-Tritylaminothiazol-4-yl)-2-(2-tert-butoxycarbonylprop-2-oxyimino)acetic acid |
EINECS | 272-056-6 |
CAS No. | 68672-66-2 | Density | 1.19 g/cm3 |
PSA | 138.35000 | LogP | 6.54570 |
Solubility | 3.44μg/L at 20℃ | Melting Point |
168-169 °C |
Formula | C32H33N3O5S | Boiling Point | 707.5 °C at 760 mmHg |
Molecular Weight | 571.697 | Flash Point | 381.7 °C |
Transport Information | N/A | Appearance | White to off white crystalline powder |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Thiazoleaceticacid, a-[[2-(1,1-dimethylethoxy)-1,1-dimethyl-2-oxoethoxy]imino]-2-[(triphenylmethyl)amino]-,(Z)-; |
Article Data | 6 |
The (Z)-2-(2-Tritylaminothiazol-4-yl)-2-(2-tert-butoxycarbonylprop-2-oxyimino)acetic acid with cas registry number of 68672-66-2, has the systematic name of (2Z)-[(2-tert-butoxy-1,1-dimethyl-2-oxoethoxy)imino][2-(tritylamino)-1,3-thiazol-4-yl]ethanoic acid. And it is also named (Z)-2-(Tert-butoxycarbonylprop.
Physical properties about this chemical are: (1)ACD/LogP: 7.54; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 55; (6)ACD/BCF (pH 7.4): 51; (7)ACD/KOC (pH 5.5): 54; (8)ACD/KOC (pH 7.4): 50; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 138.35 Å2; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 162.813 cm3; (15)Molar Volume: 477.998 cm3; (16)Polarizability: 64.544×10-24cm3; (17)Surface Tension: 45.564 dyne/cm; (18)Enthalpy of Vaporization: 108.664 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)C(O\N=C(\c1nc(sc1)NC(c2ccccc2)(c3ccccc3)c4ccccc4)C(=O)O)(C)C;
(2)InChI: InChI=1/C32H33N3O5S/c1-30(2,3)39-28(38)31(4,5)40-35-26(27(36)37)25-21-41-29(33-25)34-32(22-15-9-6-10-16-22,23-17-11-7-12-18-23)24-19-13-8-14-20-24/h6-21H,1-5H3,(H,33,34)(H,36,37)/b35-26-;
(3)InChIKey: RACSQPAUTPPMLG-JYUHDHNABB;
(4)Std. InChI: InChI=1S/C32H33N3O5S/c1-30(2,3)39-28(38)31(4,5)40-35-26(27(36)37)25-21-41-29(33-25)34-32(22-15-9-6-10-16-22,23-17-11-7-12-18-23)24-19-13-8-14-20-24/h6-21H,1-5H3,(H,33,34)(H,36,37)/b35-26-;
(5)Std. InChIKey: RACSQPAUTPPMLG-JYUHDHNASA-N