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

Name
DMPS
EINECS
CAS No. 74-61-3
Density 1.505 g/cm³
Solubility
Melting Point
Formula C₃H₈O₃S₃
Boiling Point
Molecular Weight 188.293
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (?à)-2,3-Dimercapto-1-propanesulfonicacid;2,3-Dimercapto-1-propanesulfonic acid;2,3-Dimercaptopropanesulfonicacid;DL-2,3-Dimercaptopropane-1-sulfonic acid;
PSA 140.35000
LogP 1.18320

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)	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.

Product Name

DMPS

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

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