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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC=C(C(=C1)C(=S)N)N |
|---|---|
| IUPAC Name | 2-aminobenzenecarbothioamide |
| InChIKey | HPZKAJRFABCGFF-UHFFFAOYSA-N |
| INCHI | 1S/C7H8N2S/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H2,9,10) |
| Isomeric SMILES | C1=CC=C(C(=C1)C(=S)N)N |
| PubChem CID | 1550990 |
| Molecular Weight | 152.22 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Aniline and substituted anilines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aniline and substituted anilines |
| Alternative Parents | Thioamides Thiocarboxylic acid amides Thiocarbonyl compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aniline or substituted anilines - Thioamide - Thiocarboxylic acid amide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Thiocarbonyl group - Primary amine - Organosulfur compound - Organonitrogen compound - Amine - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety. |
| External Descriptors | Not available |
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 | Dec 31, 2025 | A699623 | |
| Certificate of Analysis | Dec 31, 2025 | A699623 | |
| Certificate of Analysis | Dec 31, 2025 | A699623 | |
| Certificate of Analysis | Dec 31, 2025 | A699623 |
| Molecular Weight | 152.220 g/mol |
|---|---|
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 152.041 Da |
| Monoisotopic Mass | 152.041 Da |
| Topological Polar Surface Area | 84.100 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 136.000 |
| 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 |