≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCCSC1=NC(=C(C(=N1)Cl)N)NC2CC(C3C2OC(O3)(C)C)O |
|---|---|
| IUPAC Name | (3aR,4S,6R,6aS)-6-[(5-amino-6-chloro-2-propylsulfanylpyrimidin-4-yl)amino]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol |
| InChIKey | ZFIOCHSHJADREN-YKDSUIRESA-N |
| INCHI | 1S/C15H23ClN4O3S/c1-4-5-24-14-19-12(16)9(17)13(20-14)18-7-6-8(21)11-10(7)22-15(2,3)23-11/h7-8,10-11,21H,4-6,17H2,1-3H3,(H,18,19,20)/t7-,8+,10+,11-/m1/s1 |
| Isomeric SMILES | CCCSC1=NC(=C(C(=N1)Cl)N)N[C@@H]2C[C@@H]([C@@H]3[C@H]2OC(O3)(C)C)O |
| PubChem CID | 22973223 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organosulfur compounds |
| Class | Thioethers |
| Subclass | Aryl thioethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aryl thioethers |
| Alternative Parents | Secondary alkylarylamines Ketals Halopyrimidines Alkylarylthioethers Imidolactams Heteroaromatic compounds 1,3-dioxolanes Secondary alcohols Cyclic alcohols and derivatives Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Organochlorides Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Aryl thioether - Ketal - Alkylarylthioether - Secondary aliphatic/aromatic amine - Halopyrimidine - Imidolactam - Pyrimidine - Heteroaromatic compound - Cyclic alcohol - Meta-dioxolane - Secondary alcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Primary aliphatic amine - Amine - Alcohol - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group. |
| External Descriptors | Not available |
| Molecular Weight | 374.900 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 374.118 Da |
| Monoisotopic Mass | 374.118 Da |
| Topological Polar Surface Area | 128.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 447.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| 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 |
![(3aR,4S,6R,6aS)-6-((5-amino-6-chloro-2-(propylthio)pyrimidin-4-yl)amino)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol - ≥95% , CAS No.220241-60-1](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)