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Dimercaptosuccinic acid

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Name

Dimercaptosuccinic acid

EINECS 219-334-5
CAS No. 2418-14-6 Density 1.617 g/cm3
PSA 152.20000 LogP -0.24760
Solubility N/A Melting Point 196-198 °C
Formula C4H6O4S2 Boiling Point 267.57 °C at 760 mmHg
Molecular Weight 182.221 Flash Point 115.622 °C
Transport Information N/A Appearance white crystalline powder
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 2418-14-6 (Dimercaptosuccinic acid) Hazard Symbols N/A
Synonyms

Succinicacid, 2,3-dimercapto- (6CI,7CI,8CI);2,3-Dimercaptosuccinic acid;Asta 7512;NSC 259951;a,b-Dimercaptosuccinic acid;

Article Data 6

Dimercaptosuccinic acid Consensus Reports

Reported in EPA TSCA Inventory.

Dimercaptosuccinic acid 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.
 

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