Moligand™ Moligand™ 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.
| Canonical Smiles | C1=C(SC(=C1)CSC(=N)N)CSC(=N)N |
|---|---|
| IUPAC Name | [5-(carbamimidoylsulfanylmethyl)thiophen-2-yl]methyl carbamimidothioate |
| InChIKey | XGDUNTSTRCLVLN-UHFFFAOYSA-N |
| INCHI | 1S/C8H12N4S3/c9-7(10)13-3-5-1-2-6(15-5)4-14-8(11)12/h1-2H,3-4H2,(H3,9,10)(H3,11,12) |
| Isomeric SMILES | C1=C(SC(=C1)CSC(=N)N)CSC(=N)N |
| PubChem CID | 414147 |
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 |
| Class | Thiophenes |
| Subclass | 2,5-disubstituted thiophenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 2,5-disubstituted thiophenes |
| Alternative Parents | Heteroaromatic compounds Isothioureas Sulfenyl compounds Carboximidamides Organopnictogen compounds Imines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2,5-disubstituted thiophene - Heteroaromatic compound - Isothiourea - Sulfenyl compound - Carboximidamide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Imine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2,5-disubstituted thiophenes. These are organic compounds containing a thiophene that is disubstituted at the C-2, and C5-positions. |
| External Descriptors | Not available |
| Molecular Weight | 260.399 g/mol |
|---|---|
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 260.022 Da |
| Monoisotopic Mass | 260.022 Da |
| Topological Polar Surface Area | 179.000 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 222.000 |
| 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 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
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