≥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 | CC(C)N=C1N(C(=O)N(CS1)C2=CC=CC=C2)C(C)C |
|---|---|
| IUPAC Name | 5-phenyl-3-propan-2-yl-2-propan-2-ylimino-1,3,5-thiadiazinan-4-one |
| InChIKey | HSXMWAMNNUETHN-UHFFFAOYSA-N |
| INCHI | 1S/C15H21N3OS/c1-11(2)16-14-18(12(3)4)15(19)17(10-20-14)13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3 |
| Isomeric SMILES | CC(C)N=C1N(C(=O)N(CS1)C2=CC=CC=C2)C(C)C |
| Molecular Weight | 291.41 |
| Reaxy-Rn | 1005062 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1005062&ln= |
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 | Organoheterocyclic compounds |
| Class | Thiadiazinanes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thiadiazinanes |
| Alternative Parents | Benzene and substituted derivatives Ureas Isothioureas Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Monocyclic benzene moiety - Thiadiazinane - Benzenoid - Isothiourea - Urea - Carboximidamide - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as thiadiazinanes. These are organic heterocyclic compounds containing a six-membered saturated heterocycle with two nitrogen, one sulfur, and three carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 291.400 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 291.141 Da |
| Monoisotopic Mass | 291.141 Da |
| Topological Polar Surface Area | 61.200 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 375.000 |
| 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 |
