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3-(Ethylsulfinyl)propanoic acid - ≥97% , CAS No.137375-82-7
注文可能
GRADE & PURITY ≥97%
Storage
Room temperature
Shipped In
Normal
Why this grade
≥97% 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
≥97%
保管条件
Room temperature
入荷
Normal
純度
≥97%
名前と識別子
| カノニカル・スマイル | CCS(=O)CCC(=O)O |
|---|---|
| IUPAC Name | 3-ethylsulfinylpropanoic acid |
| InChIKey | JINZVIZTKIBBOB-UHFFFAOYSA-N |
| INCHI | 1S/C5H10O3S/c1-2-9(8)4-3-5(6)7/h2-4H2,1H3,(H,6,7) |
| 異性体SMILES | CCS(=O)CCC(=O)O |
| PubChem CID | 13155032 |
| 分子量 | 150.2 |
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 Sulfoxides
- Superclass Organosulfur compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organosulfur compounds |
| 分類 | Sulfoxides |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Sulfoxides |
| Alternative Parents | Sulfinyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Sulfoxide - Sulfinyl compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| 説明 | This compound belongs to the class of organic compounds known as sulfoxides. These are compounds containing a sulfoxide functional group, with the structure RS(=O)R' (R,R' not H). |
| 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 | 150.200 g/mol |
|---|---|
| XLogP3 | -0.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 150.035 Da |
| Monoisotopic Mass | 150.035 Da |
| Topological Polar Surface Area | 73.600 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 121.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| 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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