| Pubchem Sid | 504759813 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504759813 |
| Canonical Smiles | C1=CC=C(C=C1)C(=S)NC2=CC=CC=C2 |
| IUPAC Name | N-phenylbenzenecarbothioamide |
| InChIKey | BOQKCADLPNLYCZ-UHFFFAOYSA-N |
| INCHI | 1S/C13H11NS/c15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h1-10H,(H,14,15) |
| Isomeric SMILES | C1=CC=C(C=C1)C(=S)NC2=CC=CC=C2 |
| RTECS | CV8925000 |
| Molecular Weight | 213.3 |
| Beilstein | 12(3)507 |
| Reaxy-Rn | 639593 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=639593&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 | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzene and substituted derivatives |
| Alternative Parents | Thioamides Thiocarboxylic acid amides Thiocarbonyl compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Monocyclic benzene moiety - Thioamide - Thiocarboxylic acid amide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Thiocarbonyl group - Organosulfur compound - Organonitrogen compound - Aromatic homomonocyclic compound |
| Description | 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 | Date | Item |
|---|---|---|---|
 C2211043 | Certificate of Analysis | Dec 10, 2025 | N140452 |
| C2211067 | Certificate of Analysis | Dec 10, 2025 | N140452 |
| C2211497 | Certificate of Analysis | Dec 10, 2025 | N140452 |
| C2211502 | Certificate of Analysis | Dec 10, 2025 | N140452 |
| C2202226 | Certificate of Analysis | Feb 07, 2022 | N140452 |
| Melt Point(°C) | 100.0-104.0°C |
|---|---|
| Molecular Weight | 213.300 g/mol |
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 213.061 Da |
| Monoisotopic Mass | 213.061 Da |
| Topological Polar Surface Area | 44.100 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 203.000 |
| 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 |
