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Moligand™,≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
Product description:
Tiotidine (ICI 125211) is a potent and selective antagonist of histamine H2-receptor (pA2=7.3-7.8 for guinea-pig right atrium). Tiotidine has low affinity for both the H1 and the H3 receptors.
| Sonrisas canónicas | CN=C(NCCSCC1=CSC(=N1)N=C(N)N)NC#N |
|---|---|
| IUPAC Name | 1-cyano-3-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-2-methylguanidine |
| InChIKey | YDDXVAXDYKBWDX-UHFFFAOYSA-N |
| INCHI | 1S/C10H16N8S2/c1-14-9(16-6-11)15-2-3-19-4-7-5-20-10(17-7)18-8(12)13/h5H,2-4H2,1H3,(H2,14,15,16)(H4,12,13,17,18) |
| Isómeros SMILES | CN=C(NCCSCC1=CSC(=N1)N=C(N)N)NC#N |
| CAS alternativo | 69014-14-8 |
| PubChem CID | 50287 |
| Términos de entrada MeSH | 2-guanidino-4-(2-(2-cyano-3-methylguanidino)ethylthiomethyl)thiazole;ICI 125,211;tiotidine;tiotidine monofumarate;tiotidine monohydrochloride;tiotidine monomaleate;tiotidine monotartrate, ((R,R)-(+))-isomer |
| Peso molecular | 312.41 |
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 |
| Clase | Azoles |
| Subclass | Thiazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 2,4-disubstituted thiazoles |
| Alternative Parents | Heteroaromatic compounds Guanidines Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Dialkylthioethers Carboximidamides Azacyclic compounds Organopnictogen compounds Imines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2,4-disubstituted 1,3-thiazole - Heteroaromatic compound - Guanidine - Thioether - Carboximidamide - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Dialkylthioether - Azacycle - Organopnictogen compound - Imine - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as 2,4-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at the positions 2 and 3. |
| External Descriptors | Not available |
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| Solubilidad | Solvent:ethanol, Max Conc. mg/mL: None, Max Conc. mM: 10; Solvent:DMSO, Max Conc. mg/mL: None, Max Conc. mM: 100 |
|---|---|
| Peso molecular | 312.400 g/mol |
| XLogP3 | -0.400 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 312.094 Da |
| Monoisotopic Mass | 312.094 Da |
| Topological Polar Surface Area | 191.000 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 397.000 |
| 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 |
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