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1-Propanesulfonic acid,2,3-dimercapto-

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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 Molecular Structure of 74-61-3 (DMPS) 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;

 

1-Propanesulfonic acid,2,3-dimercapto- Specification

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.

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