10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
application：
BIX has been used in cell viability assay.
| Pubchem Sid | 528755829 |
|---|---|
| 정식 스마일 | C1=CC(=C(C=C1C(=O)CSC#N)O)O |
| IUPAC Name | [2-(3,4-dihydroxyphenyl)-2-oxoethyl] thiocyanate |
| InChIKey | SVFLBLCWKKQKDW-UHFFFAOYSA-N |
| INCHI | 1S/C9H7NO3S/c10-5-14-4-9(13)6-1-2-7(11)8(12)3-6/h1-3,11-12H,4H2 |
| 이성체 SMILES | C1=CC(=C(C=C1C(=O)CSC#N)O)O |
| WGK 독일 | 3 |
| 분자량 | 209.22 |
| Reaxy-Rn | 3292146 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3292146&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 | Organic oxygen compounds |
| 분류 | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Catechols Benzoyl derivatives Aryl alkyl ketones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Thiocyanates Sulfenyl compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alkyl-phenylketone - Benzoyl - Catechol - Aryl alkyl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Sulfenyl compound - Thiocyanate - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Aromatic homomonocyclic compound |
| 설명 | This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
| External Descriptors | catechols - aromatic ketone - thiocyanates |
| 분자량 | 209.220 g/mol |
|---|---|
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 209.015 Da |
| Monoisotopic Mass | 209.015 Da |
| Topological Polar Surface Area | 107.000 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 260.000 |
| 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 |
| 1. Mengyang Zhou, Yifei Wang, Yaning Xia, Yinhua Li, Jianfeng Bao, Yong Zhang, Jingliang Cheng, Yupeng Shi. (2024) MRI-guided cell membrane-camouflaged bimetallic coordination nanoplatform for combined tumor phototherapy. Materials Today Bio, [PMID:38516170] [10.1016/j.mtbio.2024.101019] |
