≥97% 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 | 488193426 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488193426 |
| Canonical Smiles | CC(=NNC(=S)N)C |
| IUPAC Name | (propan-2-ylideneamino)thiourea |
| InChIKey | FQUDPIIGGVBZEQ-UHFFFAOYSA-N |
| INCHI | 1S/C4H9N3S/c1-3(2)6-7-4(5)8/h1-2H3,(H3,5,7,8) |
| Isomeric SMILES | CC(=NNC(=S)N)C |
| RTECS | AL7350000 |
| UN Number | 2811 |
| Packing Group | I |
| Molecular Weight | 131.2 |
| Reaxy-Rn | 970126 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=970126&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 | Organic nitrogen compounds |
| Class | Organonitrogen compounds |
| Subclass | Hydrazines and derivatives |
| Intermediate Tree Nodes | Thiosemicarbazides |
| Direct Parent | Thiosemicarbazones |
| Alternative Parents | Organosulfur compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Thiosemicarbazone - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as thiosemicarbazones. These are compounds containing the thiosemicarbazone functional group obtained by replacing the carbonyl group by a thiocarbonyl group. |
| External Descriptors | Not available |
| Solubility | Soluble in Acetone |
|---|---|
| Melt Point(°C) | 175 °C |
| Molecular Weight | 131.200 g/mol |
| XLogP3 | -0.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 131.052 Da |
| Monoisotopic Mass | 131.052 Da |
| Topological Polar Surface Area | 82.500 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 114.000 |
| 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 |
A2612108