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 | 1.4 |
|---|
| Sonrisas canónicas | C1=CC(=CC=C1CSC(=N)N)CSC(=N)N |
|---|---|
| IUPAC Name | [4-(carbamimidoylsulfanylmethyl)phenyl]methyl carbamimidothioate |
| InChIKey | PWMGHDCLHPWGBX-UHFFFAOYSA-N |
| INCHI | 1S/C10H14N4S2/c11-9(12)15-5-7-1-2-8(4-3-7)6-16-10(13)14/h1-4H,5-6H2,(H3,11,12)(H3,13,14) |
| Isómeros SMILES | C1=CC(=CC=C1CSC(=N)N)CSC(=N)N |
| Peso molecular | 254.4 |
| Reaxy-Rn | 2056070 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2056070&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 | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzene and substituted derivatives |
| Alternative Parents | Isothioureas Sulfenyl compounds Carboximidamides Organopnictogen compounds Imines Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Monocyclic benzene moiety - Isothiourea - Sulfenyl compound - Carboximidamide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Imine - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. |
| External Descriptors | Not available |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
| Peso molecular | 254.400 g/mol |
|---|---|
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 254.066 Da |
| Monoisotopic Mass | 254.066 Da |
| Topological Polar Surface Area | 150.000 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 223.000 |
| 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 |
