≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
Description
1,2-benzodiphenylene sulfide is a rare constituent of coal tar. Photodeoxygenation of 1,2-benzodiphenylene sulfoxide, generates an intermediate capable of oxidizing the solvent benzene to phenol. Liquid-phase photolysis of 1,2-benzodiphenylene sulfide to generate atomic oxygen [O(3P)] or an equivalent active oxygen species has been reported.1,2-Benzodiphenylene sulfide has been used in direct screening of sediment samples for polycyclic aromatic hydrocarbons by flow manifold coupled on-line to a fluorimetric detector.
| Canonical Smiles | C1=CC=C2C(=C1)C=CC3=C2SC4=CC=CC=C34 |
|---|---|
| IUPAC Name | naphtho[1,2-b][1]benzothiole |
| InChIKey | YEUHHUCOSQOCIX-UHFFFAOYSA-N |
| INCHI | 1S/C16H10S/c1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-16(12)14/h1-10H |
| Isomeric SMILES | C1=CC=C2C(=C1)C=CC3=C2SC4=CC=CC=C34 |
| Molecular Weight | 234.32 |
| Reaxy-Rn | 156491 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=156491&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 | Naphthalenes |
| Subclass | Naphthothiophenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Naphthothiophenes |
| Alternative Parents | Dibenzothiophenes 1-benzothiophenes Thiophenes Heteroaromatic compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Naphthothiophene - Dibenzothiophene - 1-benzothiophene - Benzothiophene - Heteroaromatic compound - Thiophene - Organoheterocyclic compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as naphthothiophenes. These are compounds containing a naphthalene (or a derivative) fused to thiophene. |
| External Descriptors | Not available |
| Solubility | chloroform: soluble 2.5%, clear to very slightly hazy, colorless to faint yellow or tan |
|---|---|
| Molecular Weight | 234.300 g/mol |
| XLogP3 | 5.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 234.05 Da |
| Monoisotopic Mass | 234.05 Da |
| Topological Polar Surface Area | 28.200 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 287.000 |
| 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 |
