Lot numbers can be found on the outside label of a product:
S-(2-Hydroxyethyl) 2,2-dimethylpropanethioate
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CAS No. 153121-88-1
- Cat. No. CS-0097019
- Purity≥95%
- MDL No.MFCD18907033
*For research and further manufacturing use only, not for direct human use.
Structure of 153121-88-1
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General Information
- CAS No. 153121-88-1
- Cat. No. CS-0097019
- Purity ≥95%
- MDL No. MFCD18907033
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₁₄O₂S
- Molecular Weight 162.25
- Synonym(s) S-2-hydroxyethyl 2,2-dimethylpropanethioate
- SMILES CC(C)(C(SCCO)=O)C
Description
S-(2-Hydroxyethyl) 2,2-dimethylpropanethioate features a hydrophilic thioether linkage paired with a sterically shielded tert-butyl group, enabling robust stability under oxidative conditions. This combination facilitates efficient conjugation in bioorthogonal labeling workflows while maintaining solubility in aqueous-organic mixtures.
Application
S-(2-Hydroxyethyl) 2,2-dimethylpropanethioate serves as a versatile thioether building block in synthetic organic chemistry, enabling efficient access to sulfonamide and thiol-derived scaffolds. Its pendant hydroxyl group offers orthogonal reactivity for derivatization, while the sterically hindered tert-butyl thioether enhances stability and facilitates purification. The compound functions reliably in nucleophilic substitution and coupling reactions, supporting scalable synthesis of functionalized intermediates in medicinal chemistry workflows.
Synthesis
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Route1
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3282-30-2 -
60-24-2
- ~83%
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In-stock
153121-88-1
References
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THE REGENTS OF THE UNIVERSITY OF CALIFORNIA Patent: WO2008/8476 A2, 2008 ; Location in patent: Page/Page column 56 ;
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Route2
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3282-30-2
- ~%
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In-stock
153121-88-1
References
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Cook, Phillip Dan; Wang, Guangyi; Bruice, Thomas W.; Boyle, Nicholas A.; Leeds, Janet M.; Brooks, Jennifer L.; Prhavc, Marija; Ariza, Maria Eugenia; Fagan, Patrick C.; Jin, Yi; Rajwanshi, Vivek K.; Tucker, Kathleen D. Patent: US2004/59104 A1, 2004 ; Location in patent: Page 45 ;
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Route3
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In-stock
624-76-0 -
55561-02-9
- ~89%
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In-stock
153121-88-1
References
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Lefebvre, Isabelle; Perigaud, Christian; Pompon, Alain; Aubertin, Anne-Marie; Girardet, Jean-Luc; et al. Journal of Medicinal Chemistry, 1995 , vol. 38, # 20 p. 3941 - 3950
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H315-H319
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Precautionary Statements : P264-P280-P302+P352-P362
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Quality Control
Computational Chemistry Data
- TPSA 37.3
- LogP 1.2846
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 2
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Key Words
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