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Glyoxal dithiosemicarbazone - ≥97% , CAS No.1072-12-4
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Storage
Room temperature
Shipped In
Normal
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Why this grade
≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Normal 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
Specifications & Purity
≥97%
Storage
Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
| Canonical Smiles | C(=NNC(=S)N)C=NNC(=S)N |
|---|---|
| IUPAC Name | [(E)-[(2E)-2-(carbamothioylhydrazinylidene)ethylidene]amino]thiourea |
| InChIKey | BZKLDUBXTMDNMW-FACPPWRESA-N |
| INCHI | 1S/C4H8N6S2/c5-3(11)9-7-1-2-8-10-4(6)12/h1-2H,(H3,5,9,11)(H3,6,10,12)/b7-1+,8-2+ |
| Isomeric SMILES | C(=N/NC(=S)N)\C=N\NC(=S)N |
| PubChem CID | 9554798 |
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 →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Organic nitrogen compounds
- Class Organonitrogen compounds
- Subclass Hydrazines and derivatives
- Level5 Thiosemicarbazides
- Level6 Thiosemicarbazones
- Level5 Thiosemicarbazides
- Subclass Hydrazines and derivatives
- Class Organonitrogen compounds
- Superclass Organic nitrogen compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic nitrogen compounds |
| Class | Organonitrogen compounds |
| Subclass | Hydrazines and derivatives |
| Intermediate Tree Nodes | Thiosemicarbazides |
| Direct Parent | Thiosemicarbazones |
| Alternative Parents | Organosulfur compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Thiosemicarbazone - Hydrocarbon derivative - Organosulfur compound - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as thiosemicarbazones. These are compounds containing the thiosemicarbazone functional group obtained by replacing the carbonyl group by a thiocarbonyl group. |
| External Descriptors | Not available |
3D Structure
Interactive Chemical Structure Model
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 204.300 g/mol |
|---|---|
| XLogP3 | -0.700 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 204.025 Da |
| Monoisotopic Mass | 204.025 Da |
| Topological Polar Surface Area | 165.000 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 198.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 2 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
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