for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | COC1=CC2=C(C=C1)SCC(C2)N.Cl |
|---|---|
| IUPAC Name | 6-methoxy-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride |
| InChIKey | GAJKHFIBLLNHHY-UHFFFAOYSA-N |
| INCHI | 1S/C10H13NOS.ClH/c1-12-9-2-3-10-7(5-9)4-8(11)6-13-10;/h2-3,5,8H,4,6,11H2,1H3;1H |
| Isomeric SMILES | COC1=CC2=C(C=C1)SCC(C2)N.Cl |
| Molecular Weight | 231.74 |
| Reaxy-Rn | 10375743 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10375743&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Thiochromanes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thiochromanes |
| Alternative Parents | 1-benzothiopyrans Anisoles Aralkylamines Alkylarylthioethers Alkyl aryl ethers Thiopyrans Monoalkylamines Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thiochromane - 1-benzothiopyran - Benzothiopyran - Aryl thioether - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - Alkylarylthioether - Benzenoid - Thiopyran - Ether - Thioether - Organic nitrogen compound - Primary amine - Hydrochloride - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as thiochromanes. These are organic heterocyclic compounds containing a thiochromane moiety. |
| External Descriptors | Not available |
| Molecular Weight | 231.740 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 231.048 Da |
| Monoisotopic Mass | 231.048 Da |
| Topological Polar Surface Area | 60.600 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 176.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
