≥95% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC(=O)OCSC |
|---|---|
| IUPAC Name | methylsulfanylmethyl acetate |
| InChIKey | LCUMNXCSNFGGGH-UHFFFAOYSA-N |
| INCHI | 1S/C4H8O2S/c1-4(5)6-3-7-2/h3H2,1-2H3 |
| Isomeric SMILES | CC(=O)OCSC |
| Molecular Weight | 120.17 |
| Beilstein | 2(2)166 |
| Reaxy-Rn | 1743102 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1743102&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 | Organosulfur compounds |
| Class | Thioacetals |
| Subclass | Monothioacetals |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Monothioacetals |
| Alternative Parents | Carboxylic acid esters Sulfenyl compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Monothioacetal - Carboxylic acid ester - Sulfenyl compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as monothioacetals. These are compounds containing a monothioacetal functional group with the general structure R2C(OR')(SR'). |
| External Descriptors | Not available |
| Refractive Index | 1.4520-1.4560 |
|---|---|
| Flash Point(°F) | 111℉ |
| Flash Point(°C) | 44°C |
| Boil Point(°C) | 62°C/20mmHg |
| Molecular Weight | 120.170 g/mol |
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 120.025 Da |
| Monoisotopic Mass | 120.025 Da |
| Topological Polar Surface Area | 51.600 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 |
