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Basic Information
CAS No.: 19293-56-2
Name: 4-[[2-(Acetylamino)ethyl]dithio]-1-butanesulfinic acid sodium salt
Molecular Structure:
Molecular Structure of 19293-56-2 (4-[[2-(Acetylamino)ethyl]dithio]-1-butanesulfinic acid sodium salt)
Formula: C8H16NO3S3•Na
Molecular Weight: 293.42
Synonyms: Sodium 4-(2-acetamidoethyldithio)butanesulfinate;1-BUTANESULFINIC ACID,4-((2-ACETAMIDOETHYL)DITHIO)-,MONOSODIUM SALT;Natrium-4-<2-acetamido-aethyl-dithio>-butansulfinat;4-(2-Acetamidoethyldithio)butanesulfinate;1-Butanesulfinic acid,4-((2-acetamidoethyl)dithio)-,sodium salt;4-((2-Acetamidoethyl)dithio)-1-butanesulfinic acid sodium salt;4-((2-Acetamidoethyl)dithio)butanesulfinic acid,monosodium salt;
Density: g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of NOx, Na2O, and SOx.
PSA: 136.21000
LogP: 2.76240
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Chemistry

Molecule structure of 4-(2-Acetamidoethyldithio) butane sulfinate sodium (CAS NO.19293-56-2) :

IUPAC Name: sodium 4-(2-acetamidoethyldisulfanyl)butane-1-sulfinate 
Molecular Weight: 293.40231 g/mol
Molecular Formula: C8H16NNaO3S3
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 9
Tautomer Count: 2
Exact Mass: 293.019
MonoIsotopic Mass: 293.019
Topological Polar Surface Area: 69.2
Heavy Atom Count: 16
Complexity: 207
Canonical SMILES: CC(=O)NCCSSCCCCS(=O)[O-].[Na+]
InChI: InChI=1S/C8H17NO3S3.Na/c1-8(10)9-4-6-14-13-5-2-3-7-15(11)12;/h2-7H2,1H3,(H,9,10)(H,11,12);/q;+1/p-1
InChIKey of 4-(2-Acetamidoethyldithio) butane sulfinate sodium (CAS NO.19293-56-2) : FKHLBAOXRDYSRQ-UHFFFAOYSA-M

Toxicity Data With Reference

1.    

orl-mus LD50:1050 mg/kg

     JMCMAR    Journal of Medicinal Chemistry. 18 (1975),798.
2.    

ipr-mus LD50:694 mg/kg

     JMCMAR    Journal of Medicinal Chemistry. 15 (1972),312.

Safety Profile

Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of NOx, Na2O, and SOx.

Specification

 4-(2-Acetamidoethyldithio) butane sulfinate sodium (CAS NO.19293-56-2) is also called 1-Butanesulfinic acid, 4-((2-acetamidoethyl)dithio)-, sodium salt ; 4-((2-Acetamidoethyl)dithio)-1-butanesulfinic acid sodium salt ; 4-((2-Acetamidoethyl)dithio)butanesulfinic acid, monosodium salt ; 4-(2-Acetamidoethyldithio)butanesulfinate ; NSC 342029 ; Sodium 4-(2-acetamidoethyldithio)butanesulfinate .