≥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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488192741 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488192741 |
| Canonical Smiles | C1=CC(=CC(=C1)Br)NC(=S)N |
| IUPAC Name | (3-bromophenyl)thiourea |
| InChIKey | XBRVSIPVHYWULW-UHFFFAOYSA-N |
| INCHI | 1S/C7H7BrN2S/c8-5-2-1-3-6(4-5)10-7(9)11/h1-4H,(H3,9,10,11) |
| Isomeric SMILES | C1=CC(=CC(=C1)Br)NC(=S)N |
| Molecular Weight | 231.11 |
| Reaxy-Rn | 2718464 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2718464&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 | Bromobenzenes Aryl bromides Thioureas Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | N-phenylthiourea - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Thiourea - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organobromide - Organohalogen 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 |
|---|---|---|---|
 G2206477 | Certificate of Analysis | Apr 07, 2026 | B152323 |
| I1708011 | Certificate of Analysis | Apr 09, 2025 | B152323 |
| B2306157 | Certificate of Analysis | Nov 28, 2022 | B152323 |
| B2306158 | Certificate of Analysis | Nov 28, 2022 | B152323 |
| B2306159 | Certificate of Analysis | Nov 28, 2022 | B152323 |
| B2306160 | Certificate of Analysis | Nov 28, 2022 | B152323 |
| B2306161 | Certificate of Analysis | Nov 28, 2022 | B152323 |
| B2306162 | Certificate of Analysis | Nov 28, 2022 | B152323 |
| B2306163 | Certificate of Analysis | Nov 28, 2022 | B152323 |
| B2306165 | Certificate of Analysis | Nov 28, 2022 | B152323 |
| Melt Point(°C) | 147℃ |
|---|---|
| Molecular Weight | 231.120 g/mol |
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 229.951 Da |
| Monoisotopic Mass | 229.951 Da |
| Topological Polar Surface Area | 70.100 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 151.000 |
| 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 |
