Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Pubchem Sid | 488191002 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488191002 |
| Canonical Smiles | C1=CC=C(C=C1)NNC(=S)N=NC2=CC=CC=C2 |
| IUPAC Name | 1-anilino-3-phenyliminothiourea |
| InChIKey | UOFGSWVZMUXXIY-UHFFFAOYSA-N |
| INCHI | 1S/C13H12N4S/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,14H,(H,16,18) |
| Isomeric SMILES | C1=CC=C(C=C1)NNC(=S)N=NC2=CC=CC=C2 |
| WGK Germany | 3 |
| RTECS | LQ9450000 |
| Molecular Weight | 256.33 |
| Beilstein | 748838 |
| Reaxy-Rn | 748838 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=748838&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 |
| Class | Benzene and substituted derivatives |
| Subclass | Phenylhydrazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylhydrazines |
| Alternative Parents | Azo compounds Propargyl-type 1,3-dipolar organic compounds Organosulfur compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylhydrazine - Azo compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylhydrazines. These are compounds containing a phenylhydrazide moiety, which consists of a hydrazide substituent attached to a phenyl group. |
| External Descriptors | a small molecule |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Nov 05, 2025 | D108725 | |
| Certificate of Analysis | Nov 05, 2025 | D108725 | |
| Certificate of Analysis | Jul 01, 2025 | D108725 | |
| Certificate of Analysis | Jul 01, 2025 | D108725 | |
| Certificate of Analysis | Jul 01, 2025 | D108725 | |
| Certificate of Analysis | Dec 22, 2023 | D108725 | |
| Certificate of Analysis | Mar 09, 2023 | D108725 | |
| Certificate of Analysis | Mar 09, 2023 | D108725 | |
| Certificate of Analysis | Oct 21, 2022 | D108725 | |
| Certificate of Analysis | Oct 21, 2022 | D108725 |
| Sensitivity | Light sensitive. |
|---|---|
| Melt Point(°C) | 168°C |
| Molecular Weight | 256.329 g/mol |
| XLogP3 | 4.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 256.078 Da |
| Monoisotopic Mass | 256.078 Da |
| Topological Polar Surface Area | 80.900 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 281.000 |
| 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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