≥98% 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 | C1NC(=S)N(CN1CC2=CC=CO2)CCC3=CC=CC=C3 |
|---|---|
| IUPAC Name | 5-(furan-2-ylmethyl)-1-(2-phenylethyl)-1,3,5-triazinane-2-thione |
| InChIKey | XOVLHPBLSHTJHP-UHFFFAOYSA-N |
| INCHI | 1S/C16H19N3OS/c21-16-17-12-18(11-15-7-4-10-20-15)13-19(16)9-8-14-5-2-1-3-6-14/h1-7,10H,8-9,11-13H2,(H,17,21) |
| Molecular Weight | 301.4 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzene and substituted derivatives |
| Alternative Parents | 1,3,5-triazinanes Heteroaromatic compounds Furans Thioureas Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 1,3,5-triazinane - Monocyclic benzene moiety - Triazinane - Furan - Heteroaromatic compound - Thiourea - Oxacycle - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. |
| External Descriptors | Not available |
| Molecular Weight | 301.400 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 301.125 Da |
| Monoisotopic Mass | 301.125 Da |
| Topological Polar Surface Area | 63.700 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 346.000 |
| 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 |
