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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1CC2CC1C3C2SC4=C(C3C5=CC=C(C=C5)O)SC(=O)N4 |
|---|---|
| IUPAC Name | 9-(4-hydroxyphenyl)-3,7-dithia-5-azatetracyclo[9.2.1.02,10.04,8]tetradec-4(8)-en-6-one |
| InChIKey | INQVDHLYPDIHJN-UHFFFAOYSA-N |
| INCHI | 1S/C17H17NO2S2/c19-11-5-3-8(4-6-11)12-13-9-1-2-10(7-9)14(13)21-16-15(12)22-17(20)18-16/h3-6,9-10,12-14,19H,1-2,7H2,(H,18,20) |
| Molecular Weight | 331.5 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Prenol lipids |
| Subclass | Monoterpenoids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aromatic monoterpenoids |
| Alternative Parents | Alkylarylthioethers 1-hydroxy-2-unsubstituted benzenoids Thiopyrans Benzene and substituted derivatives Thiazoles Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Aromatic monoterpenoid - Aryl thioether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Thiopyran - Azole - Heteroaromatic compound - Thiazole - Azacycle - Organoheterocyclic compound - Thioether - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring. |
| External Descriptors | Not available |
| Molecular Weight | 331.500 g/mol |
|---|---|
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 331.07 Da |
| Monoisotopic Mass | 331.07 Da |
| Topological Polar Surface Area | 99.900 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 541.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![9-(4-hydroxyphenyl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d]thiazol-2-one , CAS No.1164529-69-4](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)