≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 | 504753057 |
|---|---|
| パブケム・シド・ウル | https://pubchem.ncbi.nlm.nih.gov/substance/504753057 |
| カノニカル・スマイル | C1CSC(S1)C2=CC=CC=C2 |
| IUPAC Name | 2-phenyl-1,3-dithiolane |
| InChIKey | RKBPDPLCHXWHRQ-UHFFFAOYSA-N |
| INCHI | 1S/C9H10S2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5,9H,6-7H2 |
| 異性体SMILES | C1CSC(S1)C2=CC=CC=C2 |
| RTECS | JP1177000 |
| PubChem CID | 21830 |
| 分子量 | 182.3 |
| Reaxy-Rn | 120833 |
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 | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzene and substituted derivatives |
| Alternative Parents | Dithioacetals 1,3-dithiolanes Dialkylthioethers Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Monocyclic benzene moiety - 1,3-dithiolane - Dithiolane - Thioacetal - Organoheterocyclic compound - Dialkylthioether - Thioether - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| 説明 | 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 |
| 沸点（°C） | 166 °C/20 mmHg |
|---|---|
| 融点（°C） | 24 °C |
| 分子量 | 182.300 g/mol |
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 182.022 Da |
| Monoisotopic Mass | 182.022 Da |
| Topological Polar Surface Area | 50.600 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 113.000 |
| 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 |
K2204857