≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 23 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504752859 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504752859 |
| Canonical Smiles | COC(=O)CCS |
| IUPAC Name | methyl 3-sulfanylpropanoate |
| InChIKey | LDTLDBDUBGAEDT-UHFFFAOYSA-N |
| INCHI | 1S/C4H8O2S/c1-6-4(5)2-3-7/h7H,2-3H2,1H3 |
| Isomeric SMILES | COC(=O)CCS |
| WGK Germany | 3 |
| RTECS | UA2465980 |
| UN Number | 1993 |
| Molecular Weight | 120.17 |
| Beilstein | 1742952 |
| Reaxy-Rn | 1742952 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1742952&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Carboxylic acid derivatives |
| Intermediate Tree Nodes | Carboxylic acid esters |
| Direct Parent | Methyl esters |
| Alternative Parents | Monocarboxylic acids and derivatives Alkylthiols Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Methyl ester - Monocarboxylic acid or derivatives - Alkylthiol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as methyl esters. These are organic compounds containing a carboxyl group that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=H or organyl group and R'=methyl group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2605002 | Certificate of Analysis | Mar 12, 2026 | M107600 |
| J2009573 | Certificate of Analysis | Feb 05, 2026 | M107600 |
| B2505141 | Certificate of Analysis | Feb 07, 2025 | M107600 |
| E2513048 | Certificate of Analysis | Feb 07, 2025 | M107600 |
| J2128514 | Certificate of Analysis | Aug 01, 2023 | M107600 |
| J2128515 | Certificate of Analysis | Aug 01, 2023 | M107600 |
| J2128516 | Certificate of Analysis | Aug 01, 2023 | M107600 |
| J2128517 | Certificate of Analysis | Aug 01, 2023 | M107600 |
| J2009572 | Certificate of Analysis | Aug 11, 2022 | M107600 |
| E1726051 | Certificate of Analysis | Jan 21, 2022 | M107600 |
| C2314287 | Certificate of Analysis | May 07, 2021 | M107600 |
| Solubility | Soluble in water. |
|---|---|
| Refractive Index | 1.464 |
| Flash Point(°F) | 60 °C |
| Flash Point(°C) | 60°C |
| Boil Point(°C) | 54-55°C |
| Molecular Weight | 120.170 g/mol |
| XLogP3 | 0.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 120.025 Da |
| Monoisotopic Mass | 120.025 Da |
| Topological Polar Surface Area | 27.300 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 62.700 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Futing Yang, Wenjie Yu, Qiying Yu, Xiyu Liu, Chunping Liu, Chong Lu, Xinghua Liao, Yi Liu, Na Peng. (2023) Mitochondria-Targeted Nanosystem with Reactive Oxygen Species-Controlled Release of CO to Enhance Photodynamic Therapy of PCN-224 by Sensitizing Ferroptosis. Small, 19 (16): (2206124). [PMID:36693788] [10.1002/smll.202206124] |
| 2. Jian Sun, Yu-Lin Hong, Xiu-Qin Fang, Chang Wang, Cheng-Mei Liu. (2023) Fluorescent phosphine oxide-containing hyperbranched polyesters: design, synthesis and their application for Fe3+ detection. Journal of Materials Chemistry C, 11 (5): (1927-1936). [PMID:] [10.1039/D2TC04608C] |
| 3. Lianghui Gong, Shuaipeng Wang, Jingyuan Hu, Haoyang Feng, Li Zhang, Jinyue Dai, Xiaoqin Liu. (2022) A novel bio-based degradable, reinforced vitrimer regulated by intramolecular hydrogen bonding. PROGRESS IN ORGANIC COATINGS, [PMID:] [10.1016/j.porgcoat.2022.107384] |
| 4. Huan Xu, Mingyue Yang, Yijing Du, Tian Gao, Yi Liu, Liwei Xiong, Na Peng. (2022) Self-assembly of micelles with pH/ROS dual-responsiveness and mitochondrial targeting for potential anti-tumor applications. NEW JOURNAL OF CHEMISTRY, 46 (44): (21235-21244). [PMID:] [10.1039/D2NJ03244A] |
| 5. Lili Zhang, Na Li, Zhuangzhuang Chen, Xia Li, Aihua Fan, Huibo Shao. (2022) Investigating the substitution of intermolecular hydrogen bonds on the surface of self-assembled monolayer by scanning electrochemical microscopy. JOURNAL OF ELECTROANALYTICAL CHEMISTRY, [PMID:] [10.1016/j.jelechem.2022.116790] |
| 6. Jian Sun, Yu-Lin Hong, Chang Wang, Zhi-Wei Tan, Cheng-Mei Liu. (2022) Main-chain/side-chain type phosphine oxide-containing reactive polymers derived from the same monomer: controllable RAFT polymerisation and ring-opening polycondensation. Polymer Chemistry, 13 (11): (1520-1536). [PMID:] [10.1039/D2PY00006G] |
| 7. Na Li, Jingchao Chen, Ximing Huang, Haixia Guo, Xia Li, Aihua Fan, Huibo Shao. (2021) Competition of ion-pair during the transition from hydrogen bonding to electrostatic interaction on self-assembled monolayer. ELECTROCHIMICA ACTA, [PMID:] [10.1016/j.electacta.2021.139310] |
| 8. Ronghua Tan, Danlei Tian, Jiaoyan Liu, Congcong Wang, Ying Wan. (2021) Doxorubicin-Bound Hydroxyethyl Starch Conjugate Nanoparticles with pH/Redox Responsive Linkage for Enhancing Antitumor Therapy. International Journal of Nanomedicine, [PMID:34276212] [10.2147/IJN.S314705] |
| 9. Shiqiang Yang, Zhongfei Zhang, Jiaoyong Li, Yuge Niu, Liangli Lucy Yu. (2021) Inhibition Mechanism of L-Cysteine on Maillard Reaction by Trapping 5-Hydroxymethylfurfural. Foods, 10 (6): (1391). [PMID:34208512] [10.3390/foods10061391] |
| 10. Yunfeng Wan, Wenjie Yu, Jiami Li, Na Peng, Xiao Ding, Yanlong Wang, Tao Zou, Yang Cheng, Yi Liu. (2021) Multi-functional carboxymethyl chitin-based nanoparticles for modulation of tumor-associated macrophage polarity. CARBOHYDRATE POLYMERS, [PMID:34119189] [10.1016/j.carbpol.2021.118245] |
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| 13. Wei Long, Hui Ouyang, Weimin Wan, Wenfeng Yan, Chaoqun Zhou, Hongye Huang, Meiying Liu, Xiaoyong Zhang, Yulin Feng, Yen Wei. (2019) “Two in one”: Simultaneous functionalization and DOX loading for fabrication of nanodiamond-based pH responsive drug delivery system. Materials Science & Engineering C-Materials for Biological Applications, [PMID:31923965] [10.1016/j.msec.2019.110413] |
| 14. Yujing Zuo, Haifeng Lu, Lei Xue, Xianming Wang, Lianfeng Wu, Shengyu Feng. (2014) Polysiloxane-Based Luminescent Elastomers Prepared by Thiol–ene “Click” Chemistry. CHEMISTRY-A EUROPEAN JOURNAL, 20 (40): (12924-12932). [PMID:25168644] [10.1002/chem.201402746] |
| 15. Chun-Yang Sun, Shuang Dou, Jin-Zhi Du, Xian-Zhu Yang, Ya-Ping Li, Jun Wang. (2013) Doxorubicin Conjugate of Poly(Ethylene Glycol)-Block-Polyphosphoester for Cancer Therapy. Advanced Healthcare Materials, 3 (2): (261-272). [PMID:23852934] [10.1002/adhm.201300091] |
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