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| Name |
Thiocarbarsone |
EINECS | N/A |
| CAS No. | 120-02-5 | Density | g/cm3 |
| PSA | 181.31000 | LogP | 1.09480 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C11H13 As N2 O5 S2 | Boiling Point | °Cat760mmHg |
| Molecular Weight | 392.30 | Flash Point | °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intraperitoneal and intravenous routes. Moderately toxic by ingestion. See also ARSENIC COMPOUNDS, MERCAPTANS, and ESTERS. When heated to decomposition it emits very toxic fumes of As and SOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Aceticacid, mercapto-, S,S-diester with dithio-p-ureidobenzenearsonous acid (6CI);Acetic acid, mercapto-, diester with dithio-p-ureidobenzenearsonous acid (8CI);Benzenearsonous acid, dithio-p-ureido-, diester with mercaptoacetic acid (8CI);(p-Ureidophenylarsylenedithio)diacetic acid; 4-Carbamidophenylbis[carboxymethylthio]arsenite;Bis[carboxymethylmercapto](p-ureidophenyl)arsine; CC 914; Thiocarbarsone |
Thiocarbarsone Chemical Properties
Product Name: Thiocarbarsone (CAS NO.120-02-5)
Molecular Formula: C11H13AsN2O5S2
Molecular Weight: 392.2829g/mol
Mol File: 120-02-5.mol
H-Bond Donor: 4
H-Bond Acceptor: 5
Structure Descriptors of Thiocarbarsone (CAS NO.120-02-5):
IUPAC Name: 2-[[4-(carbamoylamino)phenyl]-(carboxymethylsulfanyl)arsanyl]sulfanylacetic acid
Canonical SMILES: C1=CC(=CC=C1NC(=O)N)[As](SCC(=O)O)SCC(=O)O
InChI: InChI=1S/C11H13AsN2O5S2/c13-11(19)14-8-3-1-7(2-4-8)12(20-5-9(15)16)21-6-10(17)18/h1-4H,5-6H2,(H,15,16)(H,17,18)(H3,13,14,19)
InChIKey: VULRLPILKVVAQO-UHFFFAOYSA-N
Thiocarbarsone Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 100mg/kg (100mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 91, Pg. 112, 1947. | |
| mouse | LD50 | intravenous | 43mg/kg (43mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 91, Pg. 112, 1947. | |
| rabbit | LDLo | intravenous | 100mg/kg (100mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 91, Pg. 112, 1947. | |
| rat | LD50 | intraperitoneal | 75mg/kg (75mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 91, Pg. 112, 1947. | |
| rat | LD50 | intravenous | 29mg/kg (29mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 91, Pg. 112, 1947. | |
| rat | LD50 | oral | 1gm/kg (1000mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 91, Pg. 112, 1947. |
Thiocarbarsone Consensus Reports
Arsenic and its compounds are on the Community Right-To-Know List.
Thiocarbarsone Safety Profile
Poison by intraperitoneal and intravenous routes. Moderately toxic by ingestion. See also ARSENIC COMPOUNDS, MERCAPTANS, and ESTERS. When heated to decomposition it emits very toxic fumes of As and SOx.
Thiocarbarsone Standards and Recommendations
OSHA PEL: TWA 0.5 mg(As)/m3
ACGIH TLV: BEI: 35 µ (As)/L inorganic arsenic and methylated metabolites in urine
Thiocarbarsone Specification
Thiocarbarsone , its CAS NO. is 120-02-5, the synonyms are (p-Ureidophenylarsylenedithio)diacetic acid ; 4-Carbamidophenyl bis(carboxymethylthio)arsenite ; Acetic acid, (p-carbamoylamino)phenylarsinobis(2-thio- ; Acetic acid, 2,2'-((4-((aminocarbonyl)amino)phenyl)arsinidene)bis(thio)bis- ; Arsine, bis(carboxymethylthio)(p-ureidophenyl)- ; Benzenearsonous acid, dithio-p-ureido-, diester with mercaptoacetic acid ; Bis(carboxymethylmercapto)(p-ureidophenyl)arsine ; C.C. No. 914 ; Chemotherapy Center No. 914 ; Mercaptoacetic acid, diester with dithio-p-ureidobenzenearsonous acid ; Phenyl urea p-di(carboxymethyl) thioarsenite ; Thiocarbarsone ; Acetic acid, mercapto-, diester with dithio-p-ureidobenzenearsonous acid .
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