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| Name |
Thiocarbamizine |
EINECS | N/A |
| CAS No. | 91-71-4 | Density | N/A |
| PSA | 180.32000 | LogP | 4.62670 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C21H17 As N2 O5 S2 | Boiling Point | N/A |
| Molecular Weight | 516.44 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intraperitoneal and intravenous routes. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of As, SOx, and NOx. See also MERCAPTANS and ARSENIC COMPOUNDS. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Benzoicacid, o-mercapto-, diester with dithio-p-ureidobenzenearsonous acid (7CI,8CI);Benzenearsonous acid, dithio-p-ureido-, diester with o-mercaptobenzoic acid;(p-Ureidobenzenearsylenedithio)di-o-benzoic acid;(p-Ureidophenylarsylenedithio)di-o-benzoic acid; 4-Carbamidophenylbis[o-carboxyphenylthio]arsenite; NSC 523316; Thiocarbamisin; Thiocarbamizine;o-Mercaptobenzoic acid, diester with dithio-p-ureidobenzenearsonous acid |
Thiocarbamizine Chemical Properties
Molecule structure of Thiocarbamizine (CAS NO.91-71-4):
.gif)
IUPAC Name: 2-[[4-(carbamoylamino)phenyl]-(2-carboxyphenyl)sulfanylarsanyl] sulfanylbenzoic acid
Molecular Weight: 516.42168 g/mol
Molecular Formula: C21H17AsN2O5S2
H-Bond Donor: 4
H-Bond Acceptor: 5
Rotatable Bond Count: 8
Tautomer Count: 3
Exact Mass: 515.979484
MonoIsotopic Mass: 515.979484
Topological Polar Surface Area: 130
Heavy Atom Count: 31
Complexity: 611
Canonical SMILES: C1=CC=C(C(=C1)C(=O)O)S[As](C2=CC=C(C=C2)NC(=O)N)SC3=CC=CC=C3C(=O)O
InChI: InChI=1S/C21H17AsN2O5S2/c23-21(29)24-14-11-9-13(10-12-14)22(30-17-7-3-1-5-15(17)19(25)26)31-18-8-4-2-6-16(18)20(27)28/h1-12H,(H,25,26)(H,27,28)(H3,23,24,29)
InChIKey of Thiocarbamizine (CAS NO.91-71-4): HVHVTGIAAGQNOB-UHFFFAOYSA-N
Thiocarbamizine Toxicity Data With Reference
| 1. | orl-rat LD50:1220 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 91 (1947),112. | ||
| 2. | ipr-rat LD50:76 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 91 (1947),112. | ||
| 3. | ivn-rat LD50:70 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 91 (1947),112. | ||
| 4. | ipr-mus LD50:265 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 91 (1947),112. | ||
| 5. | ivn-mus LD50:120 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 91 (1947),112. | ||
| 6. | ivn-rbt LDLo:100 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 91 (1947),112. |
Thiocarbamizine Consensus Reports
Arsenic and its compounds are on the Community Right-To-Know List.
Thiocarbamizine Safety Profile
Poison by intraperitoneal and intravenous routes. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of As, SOx, and NOx. See also MERCAPTANS and ARSENIC COMPOUNDS.
Thiocarbamizine 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
Thiocarbamizine Specification
Thiocarbamizine (CAS NO.91-71-4) is also called (p-Ureidobenzenearsylenedithio)di-o-benzoic acid ; (p-Ureidophenylarsylenedithio)di-o-benioic acid ; (p-Ureidophenylarsylenedithio)di-o-benzoic acid ; 4-Carbamidophenyl bis(o-carboxyphenylthio)arsenite ; Benzenearsonous acid, dithio-p-ureido-, diester with o-mercaptobenzoic acid ; Benzoic acid, 2,2'-(((4-((aminocarbonyl)amino)phenyl)arsinidenebis(thio))bis) ; Benzoic acid, o-mercapto-, S,S-diester with dithio-p-
ureidobenzenearsonous acid ; Chemotherapy Center No. 1037 ; NSC 523316 ; Thiocarbamisin ; o-Mercaptobenzoic acid, diester with dithio-p-ureidobenzenearsonous acid ; p-(Bis(o-carboxyphenylmercapto)-arsino)-phenylurea ; p-Carbamidophenyl-bis(2-carboxyphenylmercapto)arsine ; p-Carbamidophenyl-di(1'-carboxyphenyl-2') thioarsenite .
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