≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
| Sonrisas canónicas | C1CCC2=C(C1)C3=C(N=C(N=C3S2)SCC4=NN=C(N4C5=CC=CC=C5)SCC(=O)O)N |
|---|---|
| IUPAC Name | 2-[[5-[(4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid |
| InChIKey | SPRISILOMIVCIR-UHFFFAOYSA-N |
| INCHI | 1S/C21H20N6O2S3/c22-18-17-13-8-4-5-9-14(13)32-19(17)24-20(23-18)30-10-15-25-26-21(31-11-16(28)29)27(15)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,28,29)(H2,22,23,24) |
| Isómeros SMILES | C1CCC2=C(C1)C3=C(N=C(N=C3S2)SCC4=NN=C(N4C5=CC=CC=C5)SCC(=O)O)N |
| PubChem CID | 1587660 |
| Términos de entrada MeSH | syntelin |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Azoles |
| Subclass | Triazoles |
| Intermediate Tree Nodes | Phenyltriazoles |
| Direct Parent | Phenyl-1,2,4-triazoles |
| Alternative Parents | Thienopyrimidines Alkylarylthioethers Aminopyrimidines and derivatives Imidolactams Benzene and substituted derivatives Thiophenes Heteroaromatic compounds Amino acids Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary amines |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenyl-1,2,4-triazole - Thienopyrimidine - Aryl thioether - Aminopyrimidine - Alkylarylthioether - Monocyclic benzene moiety - Pyrimidine - Imidolactam - Benzenoid - Heteroaromatic compound - Thiophene - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Thioether - Azacycle - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Primary amine - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Carbonyl group - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group. |
| External Descriptors | Not available |
| Peso molecular | 484.600 g/mol |
|---|---|
| XLogP3 | 4.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 7 |
| Exact Mass | 484.081 Da |
| Monoisotopic Mass | 484.081 Da |
| Topological Polar Surface Area | 199.000 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 657.000 |
| 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 |
![[(5-{[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)thio]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid - ≥98% CAS No(438481-33-5) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/A/1/A1002109.jpg)