Determine the necessary mass, volume, or concentration for preparing a solution.
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analytical standard Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light Ships Wet ice,FedEx DG Service 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCCCSP(=O)(SCCCC)SCCCC |
|---|---|
| IUPAC Name | 1-bis(butylsulfanyl)phosphorylsulfanylbutane |
| InChIKey | ZOKXUAHZSKEQSS-UHFFFAOYSA-N |
| INCHI | 1S/C12H27OPS3/c1-4-7-10-15-14(13,16-11-8-5-2)17-12-9-6-3/h4-12H2,1-3H3 |
| Isomeric SMILES | CCCCSP(=O)(SCCCC)SCCCC |
| WGK Germany | 3 |
| RTECS | TG5425000 |
| PubChem CID | 5125 |
| UN Number | 2811 |
| Packing Group | I |
| Molecular Weight | 314.51 |
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 | Organophosphorus compounds |
| Class | Organothiophosphorus compounds |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Organothiophosphorus compounds |
| Alternative Parents | Sulfenyl compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Sulfenyl compound - Organothiophosphorus compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as organothiophosphorus compounds. These are organic derivatives of thiophosphonic acid, thiophosphoric acid, dithiophosphoric acid, or phosphorotrithioic acid, or derivatives thereof. Thiophosphonic acid, dithiophosphoric acid, thiophosphoric acid, and phosphorotrithioic acid are thiophosphorus compounds with the formula OP(O)(=S), OP(S)(=S)O, OP(O)(=S)O, and OP(=S)(S)S, respectively. |
| External Descriptors | organic thiophosphate |
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| Sensitivity | Light sensitive |
|---|---|
| Molecular Weight | 314.500 g/mol |
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 12 |
| Exact Mass | 314.096 Da |
| Monoisotopic Mass | 314.096 Da |
| Topological Polar Surface Area | 93.000 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 179.000 |
| 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. Chao Hu, Cong Zhang, Yi-Fan Tang, Yu-Xi Liu, Zi-Nan Xia, Yan Wang, Wei-Tu Li, Ping Gao, Yu-Ting Li, Yun-Tong Lv, Xue-Qing Yang. (2024) Stability, Inheritance, Cross-Resistance, and Fitness Cost of Resistance to λ-Cyhalothrin in Cydia pomonella. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, [PMID:39385681] [10.1021/acs.jafc.4c07166] |
| 2. Xiudao Yu, Benjamin J Hunt, Shuchao Wang, Bartlomiej J Troczka, Chaozhi Shangguan, Wenhong Zhu, Yinhui Kuang, Chris Bass. (2026) A chromosome-level genome assembly and multi-omics analysis reveal fenpropathrin resistance mechanisms in the turnip aphid, Lipaphis erysimi. PEST MANAGEMENT SCIENCE, [PMID:] [10.1002/ps.70744] |
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