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Basic Description
| Synonyms | SCHEMBL51107 | AT15099 | 4-tert-butyl-3H-1,3-thiazole-2-thione | EN300-7151065 | LORVDQSPQDOFQN-UHFFFAOYSA-N | 4-(TERT-BUTYL)THIAZOLE-2-THIOL | 4-tert-butyl-2,3-dihydro-1,3-thiazole-2-thione | AB-601/30963027 | FT-0686384 | 4-tert-butyl-1,3-thiazole-2(3H) |
|---|---|
| Specifications & Purity | ≥97% |
| Storage Temp | Store at 2-8°C |
| Shipped In |
Wet ice This product requires cold chain shipping. Ground and other economy services are not available. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
- Superclass Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Thiazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thiazoles |
| Alternative Parents | Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Heteroaromatic compound - Thiazole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as thiazoles. These are heterocyclic compounds containing a five-member aromatic ring made up of one sulfur atom, one nitrogen, and three carbon atoms. |
| External Descriptors | Not available |
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Names and Identifiers
| IUPAC Name | 4-tert-butyl-3H-1,3-thiazole-2-thione |
|---|---|
| INCHI | InChI=1S/C7H11NS2/c1-7(2,3)5-4-10-6(9)8-5/h4H,1-3H3,(H,8,9) |
| InChIKey | LORVDQSPQDOFQN-UHFFFAOYSA-N |
| Smiles | CC(C)(C)C1=CSC(=S)N1 |
| Isomeric SMILES | CC(C)(C)C1=CSC(=S)N1 |
| PubChem CID | 824428 |
| Molecular Weight | 173.3 |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2422319 |
Certificate of Analysis | Mar 13, 2024 | T333245 |
| C2422320 |
Certificate of Analysis | Mar 13, 2024 | T333245 |
| C2422321 |
Certificate of Analysis | Mar 13, 2024 | T333245 |
Chemical and Physical Properties
| Melt Point(°C) | 169-171° C |
|---|---|
| Molecular Weight | 173.300 g/mol |
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 173.033 Da |
| Monoisotopic Mass | 173.033 Da |
| Topological Polar Surface Area | 69.400 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 188.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
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