Thiamiprine , CAS No.5581-52-2

CAS: 5581-52-2 Cat. No.: T345866 Molecular Weight: 292.28 EC Number: 226-977-5 PubChem CID: 3379405
AVAILABLE TO ORDER
Synonyms
F20763 | ITG | {2-Amino-6-[(1-methyl-4-nitroimidazol-5-yl)thio]purine} | AKOS040744608 | BW 57-323H | D06105 | Tiamiprina | Tiamiprine [INN] | 1H-Purin-2-amine, 6-((1-methyl-4-nitro-1H-imidazol-5-yl)-thio)- | 1H-Purin-2-amine, 6-((1-methyl-4-nitro-1H-imid
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
T345866-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$83.90
25mg
T345866-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$417.90
Enter a quantity for the sizes you want to add.
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
F20763 | ITG | {2-Amino-6-[(1-methyl-4-nitroimidazol-5-yl)thio]purine} | AKOS040744608 | BW 57-323H | D06105 | Tiamiprina | Tiamiprine [INN] | 1H-Purin-2-amine, 6-((1-methyl-4-nitro-1H-imidazol-5-yl)-thio)- | 1H-Purin-2-amine, 6-((1-methyl-4-nitro-1H-imid
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers
Canonical SmilesCN1C=NC(=C1SC2=NC(=NC3=C2NC=N3)N)[N+](=O)[O-]
IUPAC Name6-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purin-2-amine
InChIKeyYFTWHEBLORWGNI-UHFFFAOYSA-N
INCHI1S/C9H8N8O2S/c1-16-3-13-6(17(18)19)8(16)20-7-4-5(12-2-11-4)14-9(10)15-7/h2-3H,1H3,(H3,10,11,12,14,15)
Isomeric SMILES CN1C=NC(=C1SC2=NC(=NC3=C2NC=N3)N)[N+](=O)[O-]
PubChem CID 3379405
Molecular Weight 292.28

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganosulfur compounds
ClassThioethers
SubclassAryl thioethers
Intermediate Tree Nodes Not available
Direct ParentDiarylthioethers
Alternative Parents 6-thiopurines  Nitroimidazoles  Nitroaromatic compounds  Aminopyrimidines and derivatives  N-substituted imidazoles  Imidolactams  Heteroaromatic compounds  Sulfenyl compounds  Propargyl-type 1,3-dipolar organic compounds  Azacyclic compounds  Organic oxoazanium compounds  Hydrocarbon derivatives  Organic oxides  Organic zwitterions  Organopnictogen compounds  Primary amines  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Diarylthioether - 6-thiopurine - Imidazopyrimidine - Purine - Nitroaromatic compound - Nitroimidazole - Aminopyrimidine - N-substituted imidazole - Imidolactam - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Amine - Organonitrogen compound - Primary amine - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
MAOA Tclin Monoamine oxidase A (11911 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAOB Tclin Monoamine oxidase B (8835 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Melt Point(°C)>264° C (dec.)
Molecular Weight292.280 g/mol
XLogP3-0.200
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass292.049 Da
Monoisotopic Mass292.049 Da
Topological Polar Surface Area169.000 Ų
Heavy Atom Count20
Formal Charge0
Complexity381.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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