Determine the necessary mass, volume, or concentration for preparing a solution.
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≥98%(N) 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.
| Pubchem Sid | 488191274 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488191274 |
| Canonical Smiles | C1CCC(CC1)NC(=S)NC2CCCCC2 |
| IUPAC Name | 1,3-dicyclohexylthiourea |
| InChIKey | KAJICSGLHKRDLN-UHFFFAOYSA-N |
| INCHI | 1S/C13H24N2S/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16) |
| Isomeric SMILES | C1CCC(CC1)NC(=S)NC2CCCCC2 |
| RTECS | YS9300000 |
| UN Number | 2811 |
| Packing Group | I |
| Molecular Weight | 240.41 |
| Reaxy-Rn | 517587 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=517587&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 | Organosulfur compounds |
| Class | Thioureas |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thioureas |
| Alternative Parents | Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Thiourea - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aliphatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as thioureas. These are organic compounds containing the thiourea functional group, a derivative of urea with the general structure (R1(N)R2C(=S)(R3)R4, R1-R4=H, alkyl, aryl), obtained by replacing the carbonyl group of urea with a thiocarbonyl group. |
| External Descriptors | Not available |
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| Sensitivity | Moisture sensitive |
|---|---|
| Melt Point(°C) | 181 °C |
| Molecular Weight | 240.410 g/mol |
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 240.166 Da |
| Monoisotopic Mass | 240.166 Da |
| Topological Polar Surface Area | 56.200 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 196.000 |
| 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 |