4-CYANO-4-(THIOBENZOYLTHIO)PENTANOIC ACID
4-CYANO-4-(THIOBENZOYLTHIO)PENTANOIC ACID structure
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Common Name | 4-CYANO-4-(THIOBENZOYLTHIO)PENTANOIC ACID | ||
|---|---|---|---|---|
| CAS Number | 201611-92-9 | Molecular Weight | 279.37800 | |
| Density | 1.309g/cm3 | Boiling Point | 473.01ºC at 760 mmHg | |
| Molecular Formula | C13H13NO2S2 | Melting Point | 97 °C | |
| MSDS | Chinese USA | Flash Point | 239.868ºC | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-(benzenecarbonothioylsulfanyl)-4-cyanopentanoic acid |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.309g/cm3 |
|---|---|
| Boiling Point | 473.01ºC at 760 mmHg |
| Melting Point | 97 °C |
| Molecular Formula | C13H13NO2S2 |
| Molecular Weight | 279.37800 |
| Flash Point | 239.868ºC |
| Exact Mass | 279.03900 |
| PSA | 118.48000 |
| LogP | 3.24238 |
| Vapour Pressure | 0mmHg at 25°C |
| Index of Refraction | 1.632 |
| InChIKey | YNKQCPNHMVAWHN-UHFFFAOYSA-N |
| SMILES | CC(C#N)(CCC(=O)O)SC(=S)c1ccccc1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~75%
4-CYANO-4-(THIO... CAS#:201611-92-9 |
| Literature: Chemical Communications, , vol. 47, # 38 p. 10656 - 10658 |
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~59%
4-CYANO-4-(THIO... CAS#:201611-92-9 |
| Literature: US2004/138492 A1, ; Page 4 ; |
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~43%
4-CYANO-4-(THIO... CAS#:201611-92-9 |
| Literature: Macromolecules, , vol. 38, # 16 p. 6841 - 6848 |
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~%
4-CYANO-4-(THIO... CAS#:201611-92-9 |
| Literature: Macromolecules, , vol. 37, # 20 p. 7530 - 7537 |
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~%
4-CYANO-4-(THIO... CAS#:201611-92-9 |
| Literature: Macromolecules, , vol. 37, # 20 p. 7530 - 7537 |
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~%
4-CYANO-4-(THIO... CAS#:201611-92-9 |
| Literature: Canadian Journal of Chemistry, , vol. 89, # 3 p. 317 - 325 |
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~35%
4-CYANO-4-(THIO... CAS#:201611-92-9 |
| Literature: Canadian Journal of Chemistry, , vol. 89, # 3 p. 317 - 325 |
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~%
4-CYANO-4-(THIO... CAS#:201611-92-9 |
| Literature: Canadian Journal of Chemistry, , vol. 89, # 3 p. 317 - 325 |
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~%
4-CYANO-4-(THIO... CAS#:201611-92-9 |
| Literature: Canadian Journal of Chemistry, , vol. 89, # 3 p. 317 - 325 |
![4,4'-(diazene-1,2-diyl)bis(4-cyano-N-(2-((2-isobutyl-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin-6-yl)amino)ethyl)pentanamide) structure](https://image.chemsrc.com/caspic/035/1268268-75-2.png)
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 7 | |
|---|---|
| DownStream 0 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2930909090 |
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| Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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The influence of linker length on the properties of cathepsin S cleavable177Lu-labeled HPMA copolymers for pancreatic cancer imaging
Biomaterials 35(22) , 5760-70, (2014) N-(2-hydroxypropyl)-methacrylamide (HPMA) copolymers have shown promise for application in the detection and staging of cancer. However, non-target accumulation, particularly in the liver and spleen, ... |
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Universal (switchable) RAFT agents.
Material Matters 5 , 2, (2010) The polymerization of most monomers that are polymerizable by radical polymerization can be controlled by the reversible addition-fragmentation chain transfer (RAFT) process. However, it is usually re... |
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Ruthenium-Containing Block Copolymer Assemblies: Red-Light-Responsive Metallopolymers with Tunable Nanostructures for Enhanced Cellular Uptake and Anticancer Phototherapy.
Adv. Healthc. Mater. 5 , 467-73, (2016) The use of self-assembled nanostructures consisting of red-light-responsive Ru(II)-containing block copolymers (BCPs) for anticancer phototherapy is demonstrated. Three Ru-containing BCPs with differe... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Inhibition of rat recombinant peptidylglycine alpha-amidating monooxygenase assessed ...
Source: ChEMBL
Target: Peptidylglycine alpha-amidating monooxygenase
External Id: CHEMBL990738
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Name: Inhibition of Blattella germanica peptidylamidoglycolate lyase assessed as ascorbate-...
Source: ChEMBL
Target: N/A
External Id: CHEMBL990743
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-Cyano-4-(thiobenzoylthio)pentanoic acid |
| YNKQCPNHMVAWHN-UHFFFAOYSA |
| 6-Phenyl-6-thioxo-5-thia-4-cyano-4-methylhexanoic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the melting point of 4-(benzenecarbonothioylsulfanyl)-4-cyanopentanoic acid? |
| A: Melting point of 4-(benzenecarbonothioylsulfanyl)-4-cyanopentanoic acid is 97 °C. |
| Q: What is the SMILES notation of 4-(benzenecarbonothioylsulfanyl)-4-cyanopentanoic acid? |
| A: SMILES notation of 4-(benzenecarbonothioylsulfanyl)-4-cyanopentanoic acid is CC(C#N)(CCC(=O)O)SC(=S)c1ccccc1. |
| Q: What is the English name of 4-(benzenecarbonothioylsulfanyl)-4-cyanopentanoic acid? |
| A: The English name of 4-(benzenecarbonothioylsulfanyl)-4-cyanopentanoic acid is 4-(benzenecarbonothioylsulfanyl)-4-cyanopentanoic acid. |
| Q: What is the InChIKey of 4-(benzenecarbonothioylsulfanyl)-4-cyanopentanoic acid? |
| A: InChIKey of 4-(benzenecarbonothioylsulfanyl)-4-cyanopentanoic acid is YNKQCPNHMVAWHN-UHFFFAOYSA-N. |
| Q: What is the LogP of 4-(benzenecarbonothioylsulfanyl)-4-cyanopentanoic acid? |
| A: LogP of 4-(benzenecarbonothioylsulfanyl)-4-cyanopentanoic acid is 3.24238. |
| Q: What English synonyms does 4-(benzenecarbonothioylsulfanyl)-4-cyanopentanoic acid have? |
| A: English synonyms of 4-(benzenecarbonothioylsulfanyl)-4-cyanopentanoic acid: 4-Cyano-4-(thiobenzoylthio)pentanoic acid, YNKQCPNHMVAWHN-UHFFFAOYSA, 6-Phenyl-6-thioxo-5-thia-4-cyano-4-methylhexanoic acid. |
| Q: What is the polar surface area (PSA) of 4-(benzenecarbonothioylsulfanyl)-4-cyanopentanoic acid? |
| A: Polar surface area (PSA) of 4-(benzenecarbonothioylsulfanyl)-4-cyanopentanoic acid is 118.48000. |
| Q: What is the molecular formula of 4-(benzenecarbonothioylsulfanyl)-4-cyanopentanoic acid? |
| A: Molecular formula of 4-(benzenecarbonothioylsulfanyl)-4-cyanopentanoic acid is C13H13NO2S2. |
| Q: What is the CAS number of 4-(benzenecarbonothioylsulfanyl)-4-cyanopentanoic acid? |
| A: CAS number of 4-(benzenecarbonothioylsulfanyl)-4-cyanopentanoic acid is 201611-92-9. |
| Q: What is the boiling point of 4-(benzenecarbonothioylsulfanyl)-4-cyanopentanoic acid? |
| A: Boiling point of 4-(benzenecarbonothioylsulfanyl)-4-cyanopentanoic acid is 473.01ºC at 760 mmHg. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |
| Henan Tianfu Chemical Co., Ltd. |