methyl 3-benzylsulfanylpropanoate
methyl 3-benzylsulfanylpropanoate structure
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Common Name | methyl 3-benzylsulfanylpropanoate | ||
|---|---|---|---|---|
| CAS Number | 5331-36-2 | Molecular Weight | 210.29300 | |
| Density | 1.111g/cm3 | Boiling Point | 308.6ºC at 760 mmHg | |
| Molecular Formula | C11H14O2S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 140.7ºC | |
Summary: Methyl 3-benzylsulfanylpropanoate, Chinese name 甲基苯基硫代丙酸酯, CAS number 5331-36-2, molecular formula C11H14O2S, molecular weight 210.29300. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | methyl 3-benzylsulfanylpropanoate |
|---|---|
| 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 | 1.111g/cm3 |
|---|---|
| Boiling Point | 308.6ºC at 760 mmHg |
| Molecular Formula | C11H14O2S |
| Molecular Weight | 210.29300 |
| Flash Point | 140.7ºC |
| Exact Mass | 210.07100 |
| PSA | 51.60000 |
| LogP | 2.48290 |
| Index of Refraction | 1.541 |
| InChIKey | KFRBVHFYLRIKNQ-UHFFFAOYSA-N |
| SMILES | COC(=O)CCSCc1ccccc1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2930909090 |
|---|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~93%
methyl 3-benzyl... CAS#:5331-36-2 |
| Literature: Azizi, Najmedin; Yadollahy, Zahra; Rahimzadeh-Oskooee, Amin Tetrahedron Letters, 2014 , vol. 55, # 10 p. 1722 - 1725 |
|
~99%
methyl 3-benzyl... CAS#:5331-36-2 |
| Literature: Yeom, Chang-Eun; Kim, Mi Jeong; Kim, B. Moon Tetrahedron, 2007 , vol. 63, # 4 p. 904 - 909 |
|
~94%
methyl 3-benzyl... CAS#:5331-36-2 |
| Literature: Zhao, Yan; Ge, Ze-Mei; Cheng, Tie-Ming; Li, Run-Tao Synlett, 2007 , # 10 p. 1529 - 1532 |
|
~73%
methyl 3-benzyl... CAS#:5331-36-2
Detail
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| Literature: Gao, Pengchao; Leng, Penglin; Sun, Qi; Wang, Xin; Ge, Zemei; Li, Runtao RSC Advances, 2013 , vol. 3, # 38 p. 17150 - 17155 |
|
~75%
methyl 3-benzyl... CAS#:5331-36-2
Detail
Learn More
|
| Literature: Gao, Pengchao; Leng, Penglin; Sun, Qi; Wang, Xin; Ge, Zemei; Li, Runtao RSC Advances, 2013 , vol. 3, # 38 p. 17150 - 17155 |
|
~74%
methyl 3-benzyl... CAS#:5331-36-2 |
| Literature: Ranu, Brindaban C.; Mandal, Tanmay Synthetic Communications, 2007 , vol. 37, # 9 p. 1517 - 1523 |
|
~%
methyl 3-benzyl... CAS#:5331-36-2 |
| Literature: Andersson, Malin A.; Allenmark, Stig G. Tetrahedron, 1998 , vol. 54, # 50 p. 15293 - 15304 |
|
~%
methyl 3-benzyl... CAS#:5331-36-2 |
| Literature: Adams,E.P. Journal of the Chemical Society, 1960 , p. 2649 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 4 | |
CAS#:73975-55-0
CAS#:881-55-0![Propanoic acid,3-[(phenylmethyl)sulfonyl]-, methyl ester structure](https://image.chemsrc.com/caspic/090/5342-55-2.png)
CAS#:5342-55-2This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2930909090 |
|---|---|
| Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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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.
| METHYL-3-PROPIONATE |
| methyl 3-<(phenylmethyl)thio>propanoate |
| methyl 3-(benzylsulfanyl)propanoate |
| methyl 3-benzylsulfanyl-propionate |
| methyl 3-(benzylthio)propanoate |
| 3-Benzylmercapto-propionsaeure-methylester |
| Methyl 3-(benzylthio)propionate |
| benzyl 2-methoxycarbonylethyl sulphide |
| 3-benzylsulfanyl-propionic acid methyl ester |
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 methyl 3-benzylsulfanylpropanoate? |
| A: Related downstream products(CAS) of methyl 3-benzylsulfanylpropanoate: 2899-66-3;73975-55-0;881-55-0;5342-55-2. |
| Q: What is the InChIKey of methyl 3-benzylsulfanylpropanoate? |
| A: InChIKey of methyl 3-benzylsulfanylpropanoate is KFRBVHFYLRIKNQ-UHFFFAOYSA-N. |
| Q: What is the English name of methyl 3-benzylsulfanylpropanoate? |
| A: The English name of methyl 3-benzylsulfanylpropanoate is methyl 3-benzylsulfanylpropanoate. |
| Q: What are the upstream materials of methyl 3-benzylsulfanylpropanoate? |
| A: Related upstream materials(CAS) of methyl 3-benzylsulfanylpropanoate: 100-44-7;292638-85-8;100-53-8;538-28-3;100-46-9;56-40-6;150-60-7;186581-53-3;2899-66-3;1729-67-5. |
| Q: What is the boiling point of methyl 3-benzylsulfanylpropanoate? |
| A: Boiling point of methyl 3-benzylsulfanylpropanoate is 308.6ºC at 760 mmHg. |
| Q: What English synonyms does methyl 3-benzylsulfanylpropanoate have? |
| A: English synonyms of methyl 3-benzylsulfanylpropanoate: METHYL-3-PROPIONATE, methyl 3-propanoate, methyl 3-(benzylsulfanyl)propanoate, methyl 3-benzylsulfanyl-propionate, methyl 3-(benzylthio)propanoate, 3-Benzylmercapto-propionsaeure-methylester, Methyl 3-(benzylthio)propionate, benzyl 2-methoxycarbonylethyl sulphide, 3-benzylsulfanyl-propionic acid methyl ester. |
| Q: What is the SMILES notation of methyl 3-benzylsulfanylpropanoate? |
| A: SMILES notation of methyl 3-benzylsulfanylpropanoate is COC(=O)CCSCc1ccccc1. |
| Q: What is the polar surface area (PSA) of methyl 3-benzylsulfanylpropanoate? |
| A: Polar surface area (PSA) of methyl 3-benzylsulfanylpropanoate is 51.60000. |
| Q: What is the CAS number of methyl 3-benzylsulfanylpropanoate? |
| A: CAS number of methyl 3-benzylsulfanylpropanoate is 5331-36-2. |
| Q: What is the LogP of methyl 3-benzylsulfanylpropanoate? |
| A: LogP of methyl 3-benzylsulfanylpropanoate is 2.48290. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |