≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | C1CNC(=NC1)SCCCN.Br |
|---|---|
| IUPAC Name | 3-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)propan-1-amine;hydrobromide |
| InChIKey | RMGSJXDDWDZLSX-UHFFFAOYSA-N |
| INCHI | 1S/C7H15N3S.BrH/c8-3-1-6-11-7-9-4-2-5-10-7;/h1-6,8H2,(H,9,10);1H |
| Isomeric SMILES | C1CNC(=NC1)SCCCN.Br |
| PubChem CID | 6602989 |
| Molecular Weight | 254.2 |
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 | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hydropyrimidines |
| Alternative Parents | Isothioureas Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organopnictogen compounds Organic bromide salts Monoalkylamines Hydrocarbon derivatives Hydrobromides |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Isothiourea - Azacycle - Carboximidamide - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Amine - Organic salt - Hydrobromide - Organic bromide salt - Primary amine - Organosulfur compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as hydropyrimidines. These are compounds containing a hydrogenated pyrimidine ring (i.e. containing less than the maximum number of double bonds.). |
| External Descriptors | Not available |
| Molecular Weight | 254.190 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 253.025 Da |
| Monoisotopic Mass | 253.025 Da |
| Topological Polar Surface Area | 75.700 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 136.000 |
| 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 | 2 |
