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.
| ALogP | 1.2 |
|---|
| Canonical Smiles | CC(C)(C)SC(=N)N |
|---|---|
| IUPAC Name | tert-butyl carbamimidothioate |
| InChIKey | HQYFXUNMHLTGCN-UHFFFAOYSA-N |
| INCHI | 1S/C5H12N2S/c1-5(2,3)8-4(6)7/h1-3H3,(H3,6,7) |
| Isomeric SMILES | CC(C)(C)SC(=N)N |
| Molecular Weight | 132.23 |
| Reaxy-Rn | 1744498 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1744498&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 | Isothioureas |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isothioureas |
| Alternative Parents | Sulfenyl compounds Carboximidamides Organopnictogen compounds Imines Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Isothiourea - Sulfenyl compound - Carboximidamide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Imine - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as isothioureas. These are organic compounds containing the isothiourea group, with the general structure R1SC(=NR2)N(R3)R4 (R1,R2,R3,R4=H, alkyl, aryl). |
| External Descriptors | Not available |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
| Molecular Weight | 132.230 g/mol |
|---|---|
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 132.072 Da |
| Monoisotopic Mass | 132.072 Da |
| Topological Polar Surface Area | 75.200 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 93.100 |
| 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 |
