≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504763248 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504763248 |
| Sonrisas canónicas | C1=CC=C(C=C1)NC(=S)N=C(N)N |
| IUPAC Name | 1-(diaminomethylidene)-3-phenylthiourea |
| InChIKey | IKGVILAOZDBXSV-UHFFFAOYSA-N |
| INCHI | 1S/C8H10N4S/c9-7(10)12-8(13)11-6-4-2-1-3-5-6/h1-5H,(H5,9,10,11,12,13) |
| Isómeros SMILES | C1=CC=C(C=C1)NC(=S)N=C(N)N |
| PubChem CID | 5181676 |
| Peso molecular | 194.26 |
| Beilstein | 12(3)859 |
| Reaxy-Rn | 2102733 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2102733&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 | Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Organosulfur compounds Imines Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Monocyclic benzene moiety - Guanidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic nitrogen 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 H2308670 | Certificate of Analysis | May 20, 2026 | P358594 |
| H2308675 | Certificate of Analysis | May 20, 2026 | P358594 |
| H2308684 | Certificate of Analysis | May 20, 2026 | P358594 |
| H2308963 | Certificate of Analysis | May 20, 2026 | P358594 |
| K2527177 | Certificate of Analysis | Jul 21, 2023 | P358594 |
| Peso molecular | 194.260 g/mol |
|---|---|
| XLogP3 | 0.600 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 194.063 Da |
| Monoisotopic Mass | 194.063 Da |
| Topological Polar Surface Area | 109.000 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 204.000 |
| 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 |
| 1. Ning Zhou, Yiheng Shen, Zixin Zeng, Lingyi Ke, Fancheng Kong, Chen Cao, Philip C. Y. Chow, Sai-Wing Tsang, Alex K.-Y. Jen, Hin-Lap Yip. (2024) Homologous Molecule Treatment in Perovskite Solar Cells: Synergistic Management of Holistic Defect and Charge Transfer. ADVANCED FUNCTIONAL MATERIALS, [PMID:] [10.1002/adfm.202418798] |
