≥98% 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.
| パブケム・シド | 504760079 |
|---|---|
| パブケム・シド・ウル | https://pubchem.ncbi.nlm.nih.gov/substance/504760079 |
| カノニカル・スマイル | C1=CC(=CC(=C1)Cl)C(=S)N |
| IUPAC Name | 3-chlorobenzenecarbothioamide |
| InChIKey | OQEBJXXIPHYYEG-UHFFFAOYSA-N |
| INCHI | 1S/C7H6ClNS/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10) |
| 異性体SMILES | C1=CC(=CC(=C1)Cl)C(=S)N |
| 分子量 | 171.65 |
| Reaxy-Rn | 508202 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=508202&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 |
| 分類 | Benzene and substituted derivatives |
| Subclass | Halobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Chlorobenzenes |
| Alternative Parents | Aryl chlorides Thioamides Thiocarboxylic acid amides Thiocarbonyl compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Chlorobenzene - Aryl halide - Aryl chloride - Thioamide - Thiocarboxylic acid amide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Thiocarbonyl group - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound |
| 説明 | This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene 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 | 日付 | 商品 |
|---|---|---|---|
 E2417135 | Certificate of Analysis | May 09, 2024 | C183186 |
| E2417136 | Certificate of Analysis | May 09, 2024 | C183186 |
| E2417137 | Certificate of Analysis | May 09, 2024 | C183186 |
| E2417138 | Certificate of Analysis | May 09, 2024 | C183186 |
| E2417139 | Certificate of Analysis | May 09, 2024 | C183186 |
| E2417140 | Certificate of Analysis | May 09, 2024 | C183186 |
| E2417141 | Certificate of Analysis | May 09, 2024 | C183186 |
| E2417216 | Certificate of Analysis | May 09, 2024 | C183186 |
| 融点（°C） | 114-118℃ |
|---|---|
| 分子量 | 171.650 g/mol |
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 170.991 Da |
| Monoisotopic Mass | 170.991 Da |
| Topological Polar Surface Area | 58.100 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 138.000 |
| 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 |
