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120-02-5

Basic Information
CAS No.: 120-02-5
Name: 2-[[4-(carbamoylamino)phenyl]-(carboxymethylsulfanyl)arsanyl]sulfanyla cetic acid
Molecular Structure:
Molecular Structure of 120-02-5 (2-[[4-(carbamoylamino)phenyl]-(carboxymethylsulfanyl)arsanyl]sulfanyla cetic acid)
Formula: C11H13 As N2 O5 S2
Molecular Weight: 392.30
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
Density: g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
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.
PSA: 181.31000
LogP: 1.09480
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  • 2-[[4-(carbamoylamino)phenyl]-(carboxymethylsulfanyl)arsanyl]sulfanylacetic acid

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  • 2-[[4-(CARBAMOYLAMINO)PHENYL]-(CARBOXYMETHYLSULFANYL)ARSANYL]SULFANYLA CETIC ACID

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    2-[[4-(CARBAMOYLAMINO)PHENYL]-(CARBOXYMETHYLSULFANYL)ARSANYL]SULFANYLA CETIC ACIDAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Chemistry

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

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.

Consensus Reports

Arsenic and its compounds are on the Community Right-To-Know List.

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.

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

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 .