≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | 488191334 |
|---|---|
| Canonical Smiles | C1=CC(=CC=C1C(=O)O)NC(=S)N |
| IUPAC Name | 4-(carbamothioylamino)benzoic acid |
| InChIKey | FOYDMXZTPAEILY-UHFFFAOYSA-N |
| INCHI | 1S/C8H8N2O2S/c9-8(13)10-6-3-1-5(2-4-6)7(11)12/h1-4H,(H,11,12)(H3,9,10,13) |
| Isomeric SMILES | C1=CC(=CC=C1C(=O)O)NC(=S)N |
| Molecular Weight | 196.23 |
| Reaxy-Rn | 2805627 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2805627&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 | N-phenylthioureas |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-phenylthioureas |
| Alternative Parents | Benzoic acids Benzoyl derivatives Thioureas Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | N-phenylthiourea - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Thiourea - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-phenylthioureas. These are compounds containing a N-phenylthiourea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a thiourea group. |
| 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 |
|---|---|---|---|
 F2313020 | Certificate of Analysis | Mar 17, 2026 | C194814 |
| B2306912 | Certificate of Analysis | Oct 30, 2025 | C194814 |
| B2306913 | Certificate of Analysis | Oct 30, 2025 | C194814 |
| I2525339 | Certificate of Analysis | Sep 29, 2025 | C194814 |
| I2525340 | Certificate of Analysis | Sep 29, 2025 | C194814 |
| I2525341 | Certificate of Analysis | Sep 29, 2025 | C194814 |
| I2525342 | Certificate of Analysis | Sep 29, 2025 | C194814 |
| K2124329 | Certificate of Analysis | Sep 11, 2024 | C194814 |
| K2124330 | Certificate of Analysis | Sep 11, 2024 | C194814 |
| K2124346 | Certificate of Analysis | Sep 11, 2024 | C194814 |
| Boil Point(°C) | 255℃ |
|---|---|
| Molecular Weight | 196.230 g/mol |
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 196.031 Da |
| Monoisotopic Mass | 196.031 Da |
| Topological Polar Surface Area | 107.000 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 212.000 |
| 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. Jin Huang, Hao Wang, Chunyang Chen, Yizhe Tang, Husheng Yang, Shengzhong Liu, Dan Zhang. (2023) Adjustable Skeleton of Bilateral Lewis Base Passivator for CsPbI3 Perovskite Solar Cells with PCE over 20% and Superior Stability. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2023.143120] |
