S-(4-Bromobutyl) ethanethioate
S-(4-Bromobutyl) ethanethioate structure
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Common Name | S-(4-Bromobutyl) ethanethioate | ||
|---|---|---|---|---|
| CAS Number | 14475-59-3 | Molecular Weight | 211.120 | |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 237.1±23.0 °C at 760 mmHg | |
| Molecular Formula | C6H11BrOS | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 97.2±22.6 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | S-(4-bromobutyl) ethanethioate |
|---|---|
| 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 | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 237.1±23.0 °C at 760 mmHg |
| Molecular Formula | C6H11BrOS |
| Molecular Weight | 211.120 |
| Flash Point | 97.2±22.6 °C |
| Exact Mass | 209.971390 |
| PSA | 42.37000 |
| LogP | 2.39 |
| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
| Index of Refraction | 1.513 |
| InChIKey | ABARMQVSPZAYRI-UHFFFAOYSA-N |
| SMILES | CC(=O)SCCCCBr |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H302-H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| RIDADR | NONH for all modes of transport |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~43%
S-(4-Bromobutyl... CAS#:14475-59-3 |
| Literature: Zhi, Jian; Xiao, Yuli; Hu, Aiguo Synthetic Communications, 2012 , vol. 42, # 6 p. 914 - 920 |
|
~62%
S-(4-Bromobutyl... CAS#:14475-59-3 |
| Literature: Tran, Truong Khoa; Ocafrain, Maitena; Karpe, Sandrine; Blanchard, Philippe; Roncali, Jean; Lenfant, Stephane; Godey, Sylvie; Vuillaume, Dominique Chemistry - A European Journal, 2008 , vol. 14, # 20 p. 6237 - 6246 |
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~%
S-(4-Bromobutyl... CAS#:14475-59-3 |
| Literature: Gol'dfarb,Ya.L. et al. Doklady Chemistry, 1967 , vol. 173, p. 209 - 212 Doklady Akademii Nauk SSSR, 1967 , vol. 173, p. 97 - 100 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
|---|---|
| DownStream 1 | |
CAS#:93-08-3This table lists relevant public references with title, journal and publication metadata for this compound.
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Formation and Structure of Self-Assembled Monolayers of Octylthioacetates on Au (111) in Catalytic Tetrabutylammonium Cyanide Solution Park, T., Kang, H., Choi, I., Chung, H., Ito, E., Hara, M., & Noh, J.
Bull. Korean Chem. Soc. 30(2) , 441, (2009)
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The Thioacetate-Functionalized Self-Assembled Monolayers on Au: Toward High-Performance Ion-Selective Electrode for Ag Jin, J., Zhou, W. J., Chen, Y., Liu, Y. L., Sun, X. Q., & Xi, H. T.
Bull. Korean Chem. Soc. 35(2) , 601, (2014)
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1-Butanethiol,4-bromo-,acetate |
| Ethanethioic acid, S-(4-bromobutyl) ester |
| S-4-bromobutyl ethanethioate |
| S-(4-Bromobutyl) ethanethioate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of S-(4-bromobutyl) ethanethioate? |
| A: LogP of S-(4-bromobutyl) ethanethioate is 2.39. |
| Q: What are the downstream products of S-(4-bromobutyl) ethanethioate? |
| A: Related downstream products(CAS) of S-(4-bromobutyl) ethanethioate: 93-08-3. |
| Q: What is the InChIKey of S-(4-bromobutyl) ethanethioate? |
| A: InChIKey of S-(4-bromobutyl) ethanethioate is ABARMQVSPZAYRI-UHFFFAOYSA-N. |
| Q: What is the molecular weight of S-(4-bromobutyl) ethanethioate? |
| A: Molecular weight of S-(4-bromobutyl) ethanethioate is 211.120. |
| Q: What is the molecular formula of S-(4-bromobutyl) ethanethioate? |
| A: Molecular formula of S-(4-bromobutyl) ethanethioate is C6H11BrOS. |
| Q: What is the SMILES notation of S-(4-bromobutyl) ethanethioate? |
| A: SMILES notation of S-(4-bromobutyl) ethanethioate is CC(=O)SCCCCBr. |
| Q: What is the English name of S-(4-bromobutyl) ethanethioate? |
| A: The English name of S-(4-bromobutyl) ethanethioate is S-(4-bromobutyl) ethanethioate. |
| Q: What is the Chinese name of 14475-59-3? |
| A: Chinese name of 14475-59-3 is 14475-59-3. |
| Q: What are the upstream materials of S-(4-bromobutyl) ethanethioate? |
| A: Related upstream materials(CAS) of S-(4-bromobutyl) ethanethioate: 110-52-1;507-09-5;10387-40-3;110-01-0;506-96-7. |
| Q: What English synonyms does S-(4-bromobutyl) ethanethioate have? |
| A: English synonyms of S-(4-bromobutyl) ethanethioate: 1-Butanethiol,4-bromo-,acetate, Ethanethioic acid, S-(4-bromobutyl) ester, S-4-bromobutyl ethanethioate, S-(4-Bromobutyl) ethanethioate. |
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. |