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| CAS No.: | 76931-93-6 |
|---|---|
| Name: | SATA |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C8H9NO5S |
| Molecular Weight: | 231.229 |
| Synonyms: | Ethanethioicacid, S-[2-[(2,5-dioxo-1-pyrrolidinyl)oxy]-2-oxoethyl] ester (9CI);N-Succinimidyl S-acetylthioacetate;SATA;Succinimidyl acetylthioacetate; |
| EINECS: | 678-479-6 |
| Density: | 1.46 g/cm,sup>3 |
| Melting Point: | 84-89 °C |
| Boiling Point: | 337.3 °C at 760 mmHg |
| Flash Point: | 157.8 °C |
| Solubility: | acetonitrile: 50 mg/mL |
| Appearance: | powder |
| Safety: | 25/26 |
| PSA: | 106.05000 |
| LogP: | -0.18880 |
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Specification
This chemical is called N-Succinimidyl-S-acetylthioacetate, and its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-acetylsulfanylacetate. With the CAS registry number of 76931-93-6, its product categories are MTS and Sulfhydryl Active Reagents; N-Substituted Maleimides, Succinimides & Phthalimides; N-Substituted Succinimides; MTS & Sulfhydryl Active Reagents. In additon, this chemical is powder. It should be stored at the temperature of -20°C.
Other characteristics of the N-Succinimidyl-S-acetylthioacetate can be summarised as followings: (1)ACD/LogP: -1.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.16; (4)ACD/LogD (pH 7.4): -1.16; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.59; (8)ACD/KOC (pH 7.4): 5.59; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 106.05 Å2; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 51.14 cm3; (15)Molar Volume: 157.7 cm3; (16)Polarizability: 20.27×10-24cm3; (17)Surface Tension: 60.8 dyne/cm; (18)Density: 1.46 g/cm3; (19)Flash Point: 157.8 °C; (20)Enthalpy of Vaporization: 58.05 kJ/mol; (21)Boiling Point: 337.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000106 mmHg at 25°C.
Uses of this chemical: The N-Succinimidyl-S-acetylthioacetate could react with glycyl->-glycyl->-glycine, and obtain the {2-[2-(2-acetylsulfanyl-acetylamino)-acetylamino]-acetylamino}-acetic acid. This reaction needs the reagent of aq. NaOH, and the solvent of tetrahydrofuran. The yield is 20 %. In addition, this reaction should be taken for 48 hours at ambient the temperatur.
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You can still convert the following datas into molecular structure:
1.SMILES: O=C1N(OC(=O)CSC(=O)C)C(=O)CC1
2.InChI: InChI=1/C8H9NO5S/c1-5(10)15-4-8(13)14-9-6(11)2-3-7(9)12/h2-4H2,1H3
3.InChIKey: FLCQLSRLQIPNLM-UHFFFAOYAX