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CAS No.: | 304-55-2 |
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Name: | Succimer |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C4H6O4S2 |
Molecular Weight: | 182.221 |
Synonyms: | Butanedioicacid, 2,3-dimercapto-, (R*,S*)-;Succinic acid, 2,3-dimercapto-, meso- (8CI);Chemet;DIM-SA;DMSA;Ro 1-7977;meso-2,3-Dimercaptosuccinicacid;meso-Dimercaptosuccinic acid; |
EINECS: | 206-155-2 |
Density: | 1.617 g/cm3 |
Melting Point: | 196-198 °C (dec.)(lit.) |
Boiling Point: | 267.6 °C at 760 mmHg |
Flash Point: | 115.6 °C |
Solubility: | Soluble in water, and ethanol (25 mg/ml, results in colorless to light yellow, clear). |
Appearance: | white or off-white powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 24/25-26-36 |
PSA: | 152.20000 |
LogP: | -0.24760 |
meso-2,3-bis(acetylthio)succinic acid
succimer
Conditions | Yield |
---|---|
With sodium hydroxide | |
With water; hydrazine hydrate at 0℃; |
Conditions | Yield |
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With sodium ethoxide In methanol; toluene N2, acid:ethoxide:Sn=1:4:1 molar ratio, acid and base stirred for 0.5 h,Sn compd. added, stirred at 40°C for 12 h; filtered, solvent removed (vac.), recrystd. (ethanol); elem. anal.; | 88% |
Conditions | Yield |
---|---|
In methanol; toluene N2, stoich., refluxed in a Dean-Stark trap for 10 h; cooled to room temp., filtered, solvent removed (vac.); elem. anal.; | 88% |
Conditions | Yield |
---|---|
In methanol; toluene N2, stoich., refluxed in a Dean-Stark trap for 10 h; cooled to room temp., filtered, solvent removed (vac.), recrystd. (diethyl ether); elem. anal.; | 86% |
Conditions | Yield |
---|---|
With KOH In methanol; water High Pressure; N2, stoich., heated at 150°C for 3 d; cooled to room temp., crysts. filtered, washed (hexane); elem. anal., TGA; | 85% |
With KOH In methanol; water High Pressure; mixt. of meso-2,3-dimercaptosuccinic acid (0.5 mmol), KOH (2 mmol), tri-n-butyltin chloride (2 mmol), CH3OH (10 ml) and H2O (5 ml) heated in Teflon-lined autoclave at 150°C for 3 d; cooled to room temp. for 24 h; crystals collected; washed with hexane; elem. anal.; | 85% |
Conditions | Yield |
---|---|
With sodium ethoxide In methanol; toluene N2, acid:ethoxide:Sn=1:4:1 molar ratio, acid and base stirred for 0.5 h,Sn compd. added, stirred at 40°C for 12 h; filtered, solvent removed (vac.); elem. anal.; | 85% |
Conditions | Yield |
---|---|
With sodium ethoxide In methanol; toluene N2, acid:ethoxide:Sn=1:4:1 molar ratio, acid and base stirred for 0.5 h,Sn compd. added, stirred at 40°C for 12 h; filtered, solvent removed (vac.); elem. anal.; | 85% |
Conditions | Yield |
---|---|
In methanol; toluene N2, stoich., refluxed in a Dean-Stark trap for 10 h; cooled to room temp., filtered, solvent removed (vac.); elem. anal.; | 83% |
Conditions | Yield |
---|---|
With tin(II) chloride dihdyrate In water at 20℃; for 0.5h; | 83% |
Conditions | Yield |
---|---|
With sodium ethoxide In methanol; toluene N2, acid:ethoxide:Sn=1:4:1 molar ratio, acid and base stirred for 0.5 h,Sn compd. added, stirred at 40°C for 12 h; filtered, solvent removed (vac.), recrystd. (CH2Cl2); elem. anal.; | 82% |
The meso-2,3-Dimercaptosuccinic acid, with its CAS registry number 304-55-2, has the IUPAC name of 2,3-bis(sulfanyl)butanedioic acid. For being a kind of white crystalline powder, it is easily soluble in aqueous alkali, slightly soluble in carbinol while insoluble in water. Besides, it is stable chemically while incompatible with strong oxidizing agents. What's more, its product categories are including Organic acids; Analytical Chemistry; Ligands for Pharmaceutical Research; Radiopharmaceutical Chemistry (Chelating Reagents).
The physical properties of this chemical are as below: (1)ACD/LogP: 1.05; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 152.2; (11)Index of Refraction: 1.617; (12)Molar Refractivity: 39.42 cm3; (13)Molar Volume: 112.663 cm3; (14)Polarizability: 15.627×10-24 cm3; (15)Surface Tension: 76.657 dyne/cm; (16)Density: 1.617 g/cm3; (17)Flash Point: 115.622 °C; (18)Enthalpy of Vaporization: 55.654 kJ/mol; (19)Boiling Point: 267.57 °C at 760 mmHg; (20)Vapour Pressure: 0.002 mmHg at 25°C; (21)Exact Mass: 181.97075; (22)MonoIsotopic Mass: 181.97075; (23)Topological Polar Surface Area: 76.6; (24)Heavy Atom Count: 10; (25)Complexity: 139.
When you are dealing with this kind of chemical, you should be cautious. This is irritating to eyes, respiratory system and skin and may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing and then avoid contacting with skin and eyes. And if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
Additionally, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C(C(C(=O)O)S)(C(=O)O)S
(2)InChI: InChI=1S/C4H6O4S2/c5-3(6)1(9)2(10)4(7)8/h1-2,9-10H,(H,5,6)(H,7,8)
(3)InChIKey: ACTRVOBWPAIOHC-UHFFFAOYSA-N
Below are the toxicity information of this chemical:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 500mg/kg (500mg/kg) | National Technical Information Service. Vol. AD691-490, | |
mouse | LD50 | oral | > 5011mg/kg (5011mg/kg) | CRC Critical Reviews in Toxicology. Vol. 20, Pg. 83, 1989. | |
mouse | LD50 | subcutaneous | 1725mg/kg (1725mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 131, Pg. 283, 1961. |
rabbit | LDLo | intravenous | 2700mg/kg (2700mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 131, Pg. 283, 1961. |