4-benzylsulfanylbutan-2-one
4-benzylsulfanylbutan-2-one structure
|
Common Name | 4-benzylsulfanylbutan-2-one | ||
|---|---|---|---|---|
| CAS Number | 19360-96-4 | Molecular Weight | 194.29300 | |
| Density | 1.062g/cm3 | Boiling Point | 305.7ºC at 760 mmHg | |
| Molecular Formula | C11H14OS | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 149.5ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-benzylsulfanylbutan-2-one |
|---|---|
| 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 | 1.062g/cm3 |
|---|---|
| Boiling Point | 305.7ºC at 760 mmHg |
| Molecular Formula | C11H14OS |
| Molecular Weight | 194.29300 |
| Flash Point | 149.5ºC |
| Exact Mass | 194.07700 |
| PSA | 42.37000 |
| LogP | 2.89890 |
| Vapour Pressure | 0.00081mmHg at 25°C |
| Index of Refraction | 1.544 |
| InChIKey | LWYISWGCSYCLRI-UHFFFAOYSA-N |
| SMILES | CC(=O)CCSCc1ccccc1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 1 | |
CAS#:88738-53-8This table contains target information, in‑vitro & in‑vivo assay data for this compound.
|
Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
|
|
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-Benzylmercapto-butanon-(2) |
| 4-Benzylmercapto-butan-2-on |
| 4-(benzylthio)-2-butanone |
| 4-Benzylmercapto-2-oxo-butan |
| 4-(benzylsulfanyl)-2-butanone |
| 4-benzylthio-butan-2-one |
| 4-(benzylsulfanyl)butan-2-one |
| 4-(benzylthio)-butanone-2 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the downstream products of 4-benzylsulfanylbutan-2-one? |
| A: Related downstream products(CAS) of 4-benzylsulfanylbutan-2-one: 88738-53-8. |
| Q: What is the Chinese name of 19360-96-4? |
| A: Chinese name of 19360-96-4 is 19360-96-4. |
| Q: What is the InChIKey of 4-benzylsulfanylbutan-2-one? |
| A: InChIKey of 4-benzylsulfanylbutan-2-one is LWYISWGCSYCLRI-UHFFFAOYSA-N. |
| Q: What are the upstream materials of 4-benzylsulfanylbutan-2-one? |
| A: Related upstream materials(CAS) of 4-benzylsulfanylbutan-2-one: 150-60-7;78-94-4;100-44-7;100-53-8;100-39-0;538-28-3;75908-55-3;123-91-1;7732-18-5;100-85-6. |
| Q: What is the LogP of 4-benzylsulfanylbutan-2-one? |
| A: LogP of 4-benzylsulfanylbutan-2-one is 2.89890. |
| Q: What English synonyms does 4-benzylsulfanylbutan-2-one have? |
| A: English synonyms of 4-benzylsulfanylbutan-2-one: 4-Benzylmercapto-butanon-(2), 4-Benzylmercapto-butan-2-on, 4-(benzylthio)-2-butanone, 4-Benzylmercapto-2-oxo-butan, 4-(benzylsulfanyl)-2-butanone, 4-benzylthio-butan-2-one, 4-(benzylsulfanyl)butan-2-one, 4-(benzylthio)-butanone-2. |
| Q: What is the molecular weight of 4-benzylsulfanylbutan-2-one? |
| A: Molecular weight of 4-benzylsulfanylbutan-2-one is 194.29300. |
| Q: What is the SMILES notation of 4-benzylsulfanylbutan-2-one? |
| A: SMILES notation of 4-benzylsulfanylbutan-2-one is CC(=O)CCSCc1ccccc1. |
| Q: What is the polar surface area (PSA) of 4-benzylsulfanylbutan-2-one? |
| A: Polar surface area (PSA) of 4-benzylsulfanylbutan-2-one is 42.37000. |
| Q: What is the molecular formula of 4-benzylsulfanylbutan-2-one? |
| A: Molecular formula of 4-benzylsulfanylbutan-2-one is C11H14OS. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |