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| CAS No.: | 2418-14-6 |
|---|---|
| Name: | Dimercaptosuccinic acid |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C4H6O4S2 |
| Molecular Weight: | 182.221 |
| Synonyms: | Succinicacid, 2,3-dimercapto- (6CI,7CI,8CI);2,3-Dimercaptosuccinic acid;Asta 7512;NSC 259951;a,b-Dimercaptosuccinic acid; |
| EINECS: | 219-334-5 |
| Density: | 1.617 g/cm3 |
| Melting Point: | 196-198 °C |
| Boiling Point: | 267.57 °C at 760 mmHg |
| Flash Point: | 115.622 °C |
| Appearance: | white crystalline powder |
| PSA: | 152.20000 |
| LogP: | -0.24760 |
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Consensus Reports
Reported in EPA TSCA Inventory.
Specification
The Dimercaptosuccinic acid, with its CAS registry number 2418-14-6, has the systematic name of 2,3-disulfanylbutanedioic acid. For being a kind of white crystalline powder, it is soluble in caustic soda liquid. As to its usage, it is usually applied as the intermediate of sodium dimercaptosuccinate, and it could also be used as the detoxicant and health supplements.
The characteristics of Dimercaptosuccinic acid are as follows: (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.
In addition, you could convert the following datas into the molecular structure:
(1)SMILES:C(C(C(=O)O)S)(C(=O)O)S
(2)InChI:InChI=1/C4H6O4S2/c5-3(6)1(9)2(10)4(7)8/h1-2,9-10H,(H,5,6)(H,7,8)
(3)InChIKey:ACTRVOBWPAIOHC-UHFFFAOYAF
Below are the toxicity information of this chemical:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 2478mg/kg (2478mg/kg) | Archives of Toxicology. Vol. 61, Pg. 321, 1988. | |
| mouse | LD50 | oral | 6gm/kg (6000mg/kg) | Yaoxue Xuebao. Acta Pharmaceutica Sinica. Pharmaceutical Journal. Vol. 15, Pg. 335, 1980. | |
| rat | LD50 | oral | 4gm/kg (4000mg/kg) | Yaoxue Xuebao. Acta Pharmaceutica Sinica. Pharmaceutical Journal. Vol. 15, Pg. 335, 1980. |