CAS Number26473-47-2
Synonyms(2RS)-2-Methyl-3-sulphanylpropanoic acid 3-Mercaptoisobutyric acid; EINECS 247-726-6; 3-sulfhydryl isobutyric acid; 3-mercapto-2-methylpropionic acid; 3-mercapto-2-methylpropanoic acid; 3-Mercaptoisobutyric acid; MFCD00671555; UNII:V3E4016VAS; 3-Mercapto-2-methyl propanoic acid; 2-Methyl-3-sulfanylpropanoic acid
Molecular FormulaC4H8O2S
Molecular Weight120.17
Density1.2±0.1 g/cm3
Boiling Point232.5±23.0 °C at 760 mmHg
AppearanceLiquid;Colorless to Light yellow to Light orange clear liquid
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 26473-47-2 |
| Catalog No. | 2A-1197576 |
| Chinese Name | 3-巯基异丁酸 |
| Synonyms | (2RS)-2-Methyl-3-sulphanylpropanoic acid 3-Mercaptoisobutyric acid; EINECS 247-726-6; 3-sulfhydryl isobutyric acid; 3-mercapto-2-methylpropionic acid; 3-mercapto-2-methylpropanoic acid; 3-Mercaptoisobutyric acid; MFCD00671555; UNII:V3E4016VAS; 3-Mercapto-2-methyl propanoic acid; 2-Methyl-3-sulfanylpropanoic acid |
| Molecular Formula | C4H8O2S |
| Molecular Weight | 120.17 |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 232.5±23.0 °C at 760 mmHg |
| Appearance | Liquid;Colorless to Light yellow to Light orange clear liquid |
| Storage Condition | room temperature, dry |
| Application | Captopril EP Impurity C is an impurity of Captopril. Captopril is a sulfhydryl-containing, orally active angiotensin-converting enzyme (ACE) inhibitor (IC50=0.025 μM). |
| HTC | 2930909090 |
| PubChem ID | 6156259 |
| SMILES | [Na+].SCC(C)C(=O)[O-] |
| InChI | 1S/C4H8O2S.Na/c1-3(2-7)4(5)6;/h3,7H,2H2,1H3,(H,5,6);/q;+1/p-1 |
| InChI Key | FOTPRJUNQGWLCM-UHFFFAOYSA-M |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| MSDS | msds/199419_1_26473_47_2.pdf |
| Bioactivity | Captopril EP Impurity C is an impurity of Captopril. Captopril (SQ-14534), antihypertensive agent, is a thiol-containing competitive, orally active angiotensin-converting enzyme (ACE) inhibitor (IC50=0.025 μM)[1][2][3]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others References [1]. ANCA GABRIELA CÂRJE, et al. HPLC-UV METHOD APPROACH FOR THE ANALYSIS AND IMPURITY PROFILING OF CAPTOPRIL. [2]. Afrin S, et al. Eritadenine from Edible Mushrooms Inhibits Activity of Angiotensin Converting Enzyme in Vitro. J Agric Food Chem. 2016;64(11):2263-2268. [3]. Esmaeili S, et al. Captopril/enalapril inhibit promiscuous esterase activity of carbonic anhydrase at micromolar concentrations: An in vitro study. Chem Biol Interact. 2017;265:24-35. Chemical & Physical Properties Density 1.2±0.1 g/cm3 Boiling Point 232.5±23.0 °C at 760 mmHg Molecular Formula C4H8O2S Molecular Weight 120.170 Flash Point 94.4±22.6 °C Exact Mass 120.024498 PSA 76.10000 LogP 0.78 Vapour Pressure 0.0±1.0 mmHg at 25°C Index of Refraction 1.491 InChIKey MHRDCHHESNJQIS-UHFFFAOYSA-N SMILES CC(CS)C(=O)O |
| Use of | Captopril EP Impurity C is an impurity of Captopril. Captopril (SQ-14534), antihypertensive agent, is a thiol-containing competitive, orally active angiotensin-converting enzyme (ACE) inhibitor (IC50=0.025 μM)[1][2][3]. Properties Name 2-methyl-3-sulfanylpropanoic acid Synonym More Synonyms Captopril EP Impurity C Biological Activity Description Captopril EP Impurity C is an impurity of Captopril. Captopril (SQ-14534), antihypertensive agent, is a thiol-containing competitive, orally active angiotensin-converting enzyme (ACE) inhibitor (IC50=0.025 μM)[1][2][3]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others References [1]. ANCA GABRIELA CÂRJE, et al. HPLC-UV METHOD APPROACH FOR THE ANALYSIS AND IMPURITY PROFILING OF CAPTOPRIL. [2]. Afrin S, et al. Eritadenine from Edible Mushrooms Inhibits Activity of Angiotensin Converting Enzyme in Vitro. J Agric Food Chem. 2016;64(11):2263-2268. [3]. Esmaeili S, et al. Captopril/enalapril inhibit promiscuous esterase activity of carbonic anhydrase at micromolar concentrations: An in vitro study. Chem Biol Interact. 2017;265:24-35. Chemical & Physical Properties Molecular Formula C4H8O2S Exact Mass 120.024498 PSA 76.10000 Index of Refraction 1.491 InChIKey MHRDCHHESNJQIS-UHFFFAOYSA-N SMILES CC(CS)C(=O)O |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 30.0% |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 14. Shipping information United Nations classification: inconsistent with United Nations classification standards UN number: not specified |
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