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2-Cyclohexylethanethioamide - ≥95% , CAS No.1016791-35-7
注文可能
GRADE & PURITY ≥95%
Storage
Room temperature
Shipped In
Normal
Why this grade
≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Normal Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
仕様と純度
≥95%
保管条件
Room temperature
入荷
Normal
純度
≥95%
名前と識別子
| カノニカル・スマイル | C1CCC(CC1)CC(=S)N |
|---|---|
| IUPAC Name | 2-cyclohexylethanethioamide |
| InChIKey | OEUGOZGOSIBTRU-UHFFFAOYSA-N |
| INCHI | 1S/C8H15NS/c9-8(10)6-7-4-2-1-3-5-7/h7H,1-6H2,(H2,9,10) |
| 異性体SMILES | C1CCC(CC1)CC(=S)N |
| PubChem CID | 18755158 |
| 分子量 | 157.27 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Organosulfur compounds
- 分類 Thioamides
- Superclass Organosulfur compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organosulfur compounds |
| 分類 | Thioamides |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thioamides |
| Alternative Parents | Thiocarboxylic acid amides Thiocarbonyl compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Thioamide - Thiocarboxylic acid amide - Organic nitrogen compound - Hydrocarbon derivative - Thiocarbonyl group - Organonitrogen compound - Aliphatic homomonocyclic compound |
| 説明 | This compound belongs to the class of organic compounds known as thioamides. These are organic compounds containing the functional group with the general structure R-CS-NR'R, where R, R', and R are organic groups. |
| External Descriptors | Not available |
3 D構造
インタラクティブ化学構造モデル
証明書（CoA、COO、BSE/TSEと分析図）
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
化学的性質と物理的性質
| 分子量 | 157.280 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 157.093 Da |
| Monoisotopic Mass | 157.093 Da |
| Topological Polar Surface Area | 58.100 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 116.000 |
| 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 |
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