Thiacetazone | CAS No. 104-06-3

Thiacetazone

Basic Information

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CAS Number

104-06-3

Molecular Formula

C10H12N4OS

Molecular Weight

236.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

°Cat760mmHg

Refractive Index

1.6440 (estimate)

SMILES

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CC(=O)NC1=CC=C(C=C1)C=NNC(=S)N

InChI

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+

InChIKey

SRVJKTDHMYAMHA-WUXMJOGZSA-N

LogP

0.8120999999999998

Topological Polar Surface Area

79.51 Å²

Hydrogen Bond Donor/Acceptor

4 / 5

Complexity

285

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Toxicity

LD50 s.c. in mice: 1-2 g/kg (Bavin)

Synonyms & References

English

DTXSID2022593
AS-71466
4'-Formylacetanilidethiosemicarbazon
Mirizone neustab
Tioacetazona [INN-Spanish]
Acetanilide, thiosemicarbazone
N-[4-[(E)-(carbamothioylhydrazono)methyl]phenyl]acetamide
Benzothiozon
MMG78X7SSR
Ambathizon
104-06-3
Thiosemicarbazone (pharmaceutical)
AMITHIOZONE
A 4081
Thiosemicarbazone
Tubigal
NCGC00159389-03
Tiacetazon
Domagk's T.B.1 conteben
MFCD00022157
Thiocarbazil
Sdt 1041
Tebemar
4'-Formylacetanilide thiosemicarbazone
SCHEMBL42515
Tox21_111625_1
Tibizan
Thioacetazonum [INN-Latin]
NSC-3550
Acetanilide, 4'-(thiosemicarbazone)
Parazone

MDL Number

MFCD00022157

Customs Code

2930909090

FAQ

What regulatory guidelines apply to Thiacetazone (CAS: 104-06-3)?

Thiacetazone (CAS: 104-06-3) is regulated under the Globally Harmonized System (GHS) of Classification and Labelling of Chemicals. For manufacturing and import/export, it must comply with REACH regulations in the EU. In the USA, it is subject to FDA and EPA guidelines for pharmaceutical and environmental safety, including proper handling and disposal to prevent contamination.

Are there alternatives to Thiacetazone (CAS: 104-06-3) in synthesis?

Thiacetazone (CAS: 104-06-3) can be synthesized using several alternatives such as thioacetamide and acetanilide. Commonly used reagents include thiourea and isethionate, which can be more environmentally friendly and provide similar functional groups for substitution reactions.

What is the market or research trend for Thiacetazone (CAS: 104-06-3)?

Research on Thiacetazone (CAS: 104-06-3) has declined due to its limited therapeutic value and potential toxicity. Market trends show a shift towards safer and more effective alternatives. However, it is still studied for its historical significance in drug development and as a reference compound in certain chemical reactions.

How should waste containing Thiacetazone (CAS: 104-06-3) be handled?

Waste containing Thiacetazone (CAS: 104-06-3) should be collected in a sealed container and disposed of through professional waste disposal services to ensure safe and environmentally friendly handling. Incineration is a common method, but consider the specific conditions required to meet regulatory requirements. Always follow local and national environmental protection laws and guidelines.