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4'-Formylacetanilidthiosemicarbazon structure, CAS 104-06-3

4'-Formylacetanilidthiosemicarbazon

CAS Number104-06-3

SynonymsN-{4-[(E)-(2-carbamothioylhydrazinylidene)methyl]phenyl}acetamide; N-[4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl]acetamide; N-(4-{(E)-[(aminocarbonothioyl)hydrazono]methyl}phenyl)acetamide; N-(4-{(E)-[2-(aminocarbonothioyl)hydrazono]methyl}phenyl)acetamide; EINECS 203-170-6; THIACETAZONE; N-{4-[(E)-(Carbamothioylhydrazono)methyl]phenyl}acetamide; p-Acetamidobenzaldehyde thiosemicarbazon; thioacetazone

Molecular FormulaC10H12N4OS

Molecular Weight236.297

Purity

Density1.3±0.1 g/cm3

Boiling Point

Melting Point225-230 ℃

Flash Point

AppearanceSolid;White to Orange to Green powder to crystal

EINECS

MSDSChineseEnglish

Symbol

Signal Word

Cat. No.: 2A-9084384 Purity:
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Quality Control of [ 104-06-3 ] SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number104-06-3
Catalog No.2A-9084384
Chinese Name氨硫脲
SynonymsN-{4-[(E)-(2-carbamothioylhydrazinylidene)methyl]phenyl}acetamide; N-[4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl]acetamide; N-(4-{(E)-[(aminocarbonothioyl)hydrazono]methyl}phenyl)acetamide; N-(4-{(E)-[2-(aminocarbonothioyl)hydrazono]methyl}phenyl)acetamide; EINECS 203-170-6; THIACETAZONE; N-{4-[(E)-(Carbamothioylhydrazono)methyl]phenyl}acetamide; p-Acetamidobenzaldehyde thiosemicarbazon; thioacetazone
Molecular FormulaC10H12N4OS
Molecular Weight236.297
Density1.3±0.1 g/cm3
Melting Point225-230 ℃
AppearanceSolid;White to Orange to Green powder to crystal
Storage ConditionStore airtight in a cool, dry warehouse.
ApplicationThiacetazone (Thioacetazone) is a thiourea-containing antituberculosis agent and an orally active antibiotic. Thiacetazone has antibacterial effects and can inhibit the growth of Mycobacterium tubercu
HTC2930909090
MDL NumberMFCD00022157
SMILESCC(=O)Nc1ccc(C=NNC(N)=S)cc1
InChIInChI=1S/C10H12N4OS/c1-7(15)13-9-4-2-8(3-5-9)6-12-14-10(11)16/h2-6H,1H3,(H,13,15)(H3,11,14,16)/b12-6+
InChI KeySRVJKTDHMYAMHA-WUXMJOGZSA-N
MSDSmsds/84384_1_104_06_3.pdf
Use ofThiacetazone (Thioacetazone) is a thiourea-containing antitubercular agent and is an orally active antibiotic. Thiacetazone has antibacterial action, which inhibits growth of Mycobacterium tuberculosis H37Rv with a MIC value of 0.1 μg/mL[1]. Properties Name 4-Acetylaminobenzaldehyde thiosemicarbazone Synonym More Synonyms Thiacetazone Biological Activity Description Thiacetazone (Thioacetazone) is a thiourea-containing antitubercular agent and is an orally active antibiotic. Thiacetazone has antibacterial action, which inhibits growth of Mycobacterium tuberculosis H37Rv with a MIC value of 0.1 μg/mL[1]. Related Catalog Research Areas >> Infection Signaling Pathways >> Anti-infection >> Bacterial MIC: 0.1 μg/mL (Mycobacterium tuberculosis H37Rv)[1] In Vitro Thiacetazone is a prodrug that is activated by the mycobacterial monooxygenase EthA, which is also the activator of two other anti-tuberculosis agents, Ethionamide and Isoxyl[3]. References [1]. J L Stigliani, et al. New Insights Into the Chemical Behavior of S-oxide Derivatives of Thiocarbonyl-Containing Antitubercular Drugs and the Influence on Their Mechanisms of Action and Toxicity. Ann Pharm Fr. 2019 Mar;77(2):126-135. [2]. P Khanna, et al. Characteristics of a Cytosolic Arylacylamidase Metabolizing Thiacetazone. J Pharmacol Exp Ther. 1992 Sep;262(3):1225-31. [3]. Anuradha Alahari, et al. Thiacetazone, an Antitubercular Drug That Inhibits Cyclopropanation of Cell Wall Mycolic Acids in Mycobacteria. PLoS One. 2007 Dec 19;2(12):e1343. [4]. C A Peloquin, et al. Pharmacokinetic Evaluation of Thiacetazone. Pharmacotherapy. Sep-Oct 1996;16(5):735-41. Chemical & Physical Properties Molecular Formula C10H12N4OS Exact Mass 236.073181 PSA 111.60000 Index of Refraction 1.639 InChIKey SRVJKTDHMYAMHA-WUXMJOGZSA-N Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : Acetanilide, 4'-formyl-, 4'-(thiosemicarbazone) CAS REGISTRY NUMBER : BEILSTEIN REFERENCE NO. : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C10-H12-N4-O-S MOLECULAR WEIGHT : WISWESSER LINE NOTATION : SUYZMNU1R DMV1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - coma Lungs, Thorax, or Respiration - respiratory depression TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value MUTATION DATA TEST SYSTEM : Rodent - mouse DOSE/DURATION : 3267 ug/kg REFERENCE : NULSAK Nucleus (Calcutta). (Dr. A.K. Sharma, Centre of Advanced Studies in Cell and Chromosome Research, Calcutta, 35 Baliygunge Circular Rd., Calcutta 700 019, India) V.1- 1958- Volume(issue)/page/year: 22,96,1979 Safety Information Hazard Codes Xn Risk Phrases 22 Safety Phrases 36 WGK Germany 3 RTECS AE3850000 HS Code 2930909090 Synthetic Route Total: 1 Page 4-Acetamidobenz... CAS#:122-85-0 Thiacetazone CAS#:104-06-3 Literature: Journal of the American Chemical Society, , vol. 75, p. 1241 Hydrazinecarbot... CAS#:6957-91-1 Ethanoic anhydride CAS#:108-24-7 Thiacetazone CAS#:104-06-3 4-Acetamidobenz... CAS#:122-85-0 Thiosemicarbazide CAS#:79-19-6 Thiacetazone CAS#:104-06-3 Literature: Bulletin de la Societe Chimique de France, , p. 48,53 DE852086 , ; DRP/DRBP Org.Chem.
Tax Rebate13.0%
SupervisionNone. MFN tariff: 6.5%. Ordinary tariff: 30.0%
Transport InfoProduct name: Summary 2930909090. other organo-sulfur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
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