Thiacetazone - ≥99% , CAS No.104-06-3

CAS: 104-06-3 Cat. No.: T302126 Molecular Weight: 236.29 EC Number: 203-170-6 PubChem CID: 9568512

GRADE & PURITY ≥99%

Synonyms

BRN 2810335 | Mivizon | Tiacetazon | Tibione | EINECS 203-170-6 | NSC 83231 | p-Acetaminobenzylidenethiosemicarbazone | Thioacetazon | Thiomicid | Acetanilide, 4'-formyl-, 4'-(thiosemicarbazone) | Parazone | Tebethion | Tibizan | 4-Acetamidobenzaldehyde t

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyms

BRN 2810335 | Mivizon | Tiacetazon | Tibione | EINECS 203-170-6 | NSC 83231 | p-Acetaminobenzylidenethiosemicarbazone | Thioacetazon | Thiomicid | Acetanilide, 4'-formyl-, 4'-(thiosemicarbazone) | Parazone | Tebethion | Tibizan | 4-Acetamidobenzaldehyde t

Specifications & Purity

≥99%

Storage

Room temperature, Desiccated

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488196281
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196281
• Canonical Smiles: CC(=O)NC1=CC=C(C=C1)C=NNC(=S)N
• IUPAC Name: N-[4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl]acetamide
• InChIKey: SRVJKTDHMYAMHA-WUXMJOGZSA-N
• INCHI: 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+
• Isomeric SMILES: CC(=O)NC1=CC=C(C=C1)/C=N/NC(=S)N
• PubChem CID: 9568512
• Molecular Weight: 236.29

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Acetanilides
• Alternative Parents: N-acetylarylamines Thiosemicarbazones Acetamides Secondary carboxylic acid amides Organosulfur compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Acetanilide - N-acetylarylamine - N-arylamide - Thiosemicarbazone - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as acetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

F2 Tclin Thrombin (11687 Activities)

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ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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PGR Tclin Progesterone receptor (8562 Activities)

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CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)

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HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)

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ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

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VDR Tclin Vitamin D receptor (26531 Activities)

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TYR Tclin Tyrosinase (717 Activities)

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GABRA1 Tclin GABA receptor alpha-1 subunit (399 Activities)

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MAOA Tclin Monoamine oxidase A (11911 Activities)

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DRD1 Tclin Dopamine D1 receptor (9720 Activities)

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

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SLC6A2 Tclin Norepinephrine transporter (10102 Activities)

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MAOB Tclin Monoamine oxidase B (8835 Activities)

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ADORA1 Tclin Adenosine A1 receptor (17603 Activities)

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SLC6A4 Tclin Serotonin transporter (12625 Activities)

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ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)

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OPRM1 Tclin Mu opioid receptor (19785 Activities)

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DRD3 Tclin Dopamine D3 receptor (14368 Activities)

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SLC6A3 Tclin Dopamine transporter (10535 Activities)

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PDE3A Tclin Phosphodiesterase 3A (3309 Activities)

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HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 Activities)

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TBXA2R Tclin Thromboxane A2 receptor (5717 Activities)

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PDE4A Tclin Phosphodiesterase 4A (1943 Activities)

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HRH3 Tclin Histamine H3 receptor (10389 Activities)

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ABCC2 Tchem Canalicular multispecific organic anion transporter 1 (1191 Activities)

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ABCB11 Tchem Bile salt export pump (2311 Activities)

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ABCC3 Tbio Canalicular multispecific organic anion transporter 2 (718 Activities)

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ABCC4 Tchem Multidrug resistance-associated protein 4 (785 Activities)

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Associated Targets(non-human)

Cruzipain (33337 Activities)

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Mycobacterium avium (4587 Activities)

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Mycobacterium tuberculosis (203094 Activities)

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Mycobacterium tuberculosis variant bovis BCG (1626 Activities)

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fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)

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ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 225-230°C
• Molecular Weight: 236.300 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 236.073 Da
• Monoisotopic Mass: 236.073 Da
• Topological Polar Surface Area: 112.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 285.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

References

1. Li Yufang, Chen Yunlong, Zi Futing, Hu Xianzhi.  (2024)  First gold recovery from PCBs through en-thiosulfate leaching and selective adsorption with carbon.  BRAZILIAN JOURNAL OF CHEMICAL ENGINEERING,      [PMID:] [10.1007/s43153-024-00510-7]

2. Li Jiatong, Song Lei, Zhang Hao, Wang Runnan, Zhu Bo, Lou Dawei.  (2025)  Thiosemicarbazone-Modified Polysilicate Flocculants for Copper Ion Removal.  WATER AIR AND SOIL POLLUTION,  236  (10): (1-16).  [PMID:] [10.1007/s11270-025-08232-3]