Cas no 54928-91-5 (Ethyl 2-Mercapto-1-cyclohexenecarboxylate >90%)
Ethyl 2-Mercapto-1-cyclohexenecarboxylate (>90%) is a versatile sulfur-containing cyclic ester used in organic synthesis and pharmaceutical intermediates. Its high purity (>90%) ensures reliable performance in applications such as thiol-ene reactions and heterocyclic compound formation. The compound's cyclohexene backbone and reactive thiol group facilitate selective functionalization, making it valuable for constructing complex molecular frameworks. It is particularly useful in the development of flavor and fragrance compounds, as well as bioactive molecules. The ethyl ester moiety enhances solubility in organic solvents, simplifying handling and reaction conditions. Proper storage under inert conditions is recommended to maintain stability due to its thiol reactivity.
54928-91-5 structure
Product Name:Ethyl 2-Mercapto-1-cyclohexenecarboxylate >90%
CAS No:54928-91-5
MF:C9H14O2S
MW:186.271261692047
CID:353276
PubChem ID:18380060
Update Time:2025-05-28
Ethyl 2-Mercapto-1-cyclohexenecarboxylate >90% Chemical and Physical Properties
Names and Identifiers
-
- 1-Cyclohexene-1-carboxylic acid, 2-mercapto-, ethyl ester
- ethyl 2-mercaptocyclohex-1-enecarboxylate
- ethyl 2-sulfanylcyclohexene-1-carboxylate
- ethyl 2-mercaptocyclohex-1-ene-1-carboxylate
- ethyl 2-mercapto-1-cyclohexene-1-carboxylate
- ethyl2-mercaptocyclohex-1-enecarboxylate
- Ethyl 2-sulfanylcyclohex-1-ene-1-carboxylate
- 2-mercaptocyclohex-1-enecarboxylic acid ethyl ester
- 54928-91-5
- VRFUJRRFOFCDOO-UHFFFAOYSA-N
- Ethyl 2-Mercapto-1-cyclohexenecarboxylate >90%
- SCHEMBL4133061
- DTXSID90593294
-
- Inchi: 1S/C9H14O2S/c1-2-11-9(10)7-5-3-4-6-8(7)12/h12H,2-6H2,1H3
- InChI Key: VRFUJRRFOFCDOO-UHFFFAOYSA-N
- SMILES: SC1=C(C(=O)OCC)CCCC1
Computed Properties
- Exact Mass: 186.07152
- Monoisotopic Mass: 186.07145086g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 209
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 27.3
Experimental Properties
- Density: 1.1±0.1 g/cm3
- Boiling Point: 265.6±40.0 °C at 760 mmHg
- Flash Point: 149.8±15.3 °C
- PSA: 26.3
- Vapor Pressure: 0.0±0.5 mmHg at 25°C
Ethyl 2-Mercapto-1-cyclohexenecarboxylate >90% Security Information
- Signal Word:warning
- Hazard Statement: H303+H313+H333
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Safety Instruction: H303+H313+H333
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
Ethyl 2-Mercapto-1-cyclohexenecarboxylate >90% Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | E932365-500mg |
Ethyl 2-Mercapto-1-cyclohexenecarboxylate >90% |
54928-91-5 | 500mg |
$178.00 | 2023-05-18 | ||
| TRC | E932365-1g |
Ethyl 2-Mercapto-1-cyclohexenecarboxylate >90% |
54928-91-5 | 1g |
$ 351.00 | 2023-09-07 | ||
| TRC | E932365-2.5g |
Ethyl 2-Mercapto-1-cyclohexenecarboxylate >90% |
54928-91-5 | 2.5g |
$ 615.00 | 2022-06-05 | ||
| TRC | E932365-5g |
Ethyl 2-Mercapto-1-cyclohexenecarboxylate >90% |
54928-91-5 | 5g |
$1418.00 | 2023-05-18 | ||
| TRC | E932365-2500mg |
Ethyl 2-Mercapto-1-cyclohexenecarboxylate >90% |
54928-91-5 | 2500mg |
$752.00 | 2023-05-18 |
Ethyl 2-Mercapto-1-cyclohexenecarboxylate >90% Related Literature
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
-
Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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