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Name |
1-Propanesulfonic acid,2,3-dimercapto- |
EINECS | N/A |
CAS No. | 74-61-3 | Density | 1.505 g/cm3 |
PSA | 140.35000 | LogP | 1.18320 |
Solubility | N/A | Melting Point |
N/A |
Formula | C3H8O3S3 | Boiling Point | N/A |
Molecular Weight | 188.293 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(?à)-2,3-Dimercapto-1-propanesulfonicacid;2,3-Dimercapto-1-propanesulfonic acid;2,3-Dimercaptopropanesulfonicacid;DL-2,3-Dimercaptopropane-1-sulfonic acid; |
The 1-Propanesulfonic acid,2,3-dimercapto-, with the CAS registry number 74-61-3, is also known as DL-2,3-Dimercaptopropane-1-sulfonic acid. This chemical's molecular formula is C3H8O3S3 and molecular weight is 188.28882. Its IUPAC name is called 2,3-bis(sulfanyl)propane-1-sulfonic acid. This chemical's classification codes are Antidotes; Chelating agents; Drug / Therapeutic Agent; Protective Agents.
Physical properties of 1-Propanesulfonic acid,2,3-dimercapto-: (1)ACD/LogP: -0.33; (2)ACD/LogD (pH 5.5): -3.8; (3)ACD/LogD (pH 7.4): -3.84; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.585; (12)Molar Refractivity: 41.97 cm3; (13)Molar Volume: 125 cm3; (14)Surface Tension: 63.1 dyne/cm; (15)Density: 1.505 g/cm3.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(C(CS(=O)(=O)O)S)S
(2)InChI: InChI=1S/C3H8O3S3/c4-9(5,6)2-3(8)1-7/h3,7-8H,1-2H2,(H,4,5,6)
(3)InChIKey: JLVSRWOIZZXQAD-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intramuscular | 1750mg/kg (1750mg/kg) | German Offenlegungsschrift Patent Document. Vol. #3111770, | |
mouse | LD50 | intraperitoneal | 979mg/kg (979mg/kg) | Archives of Toxicology. Vol. 61, Pg. 321, 1988. | |
rat | LD50 | intraperitoneal | 945mg/kg (945mg/kg) | CRC Critical Reviews in Toxicology. Vol. 20, Pg. 83, 1989. |