≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Argon charged Ships Ice chest + Ice pads 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.
Methoxycarbonylsulfenyl chloride is a sulfenyl carbonyl compound. Photoinduced fragmentations of methoxycarbonylsulfenyl chloride is investigated in the gaseous phase by using synchrotron radiation and multicoincidence techniques.The molecular structure and conformational properties of methoxycarbonylsulfenyl chloride is studied in the gas and solid phases by gas electron diffraction, low-temperature X-ray diffraction and vibrational spectroscopy.The anomeric and mesomeric effects in methoxycarbonylsulfenyl chloride is reported.
Methoxycarbonylsulfenyl chloride may be used to prepare 3-[(methoxycarbonyl)dithio]-L-alanine, via reaction with L-cysteine. It is suitable for use in the synthesis of 3-2 pyridinyldithio propanoic acid hydrazide (PDPH), an important heterobifunctional crosslinker widely used in bioconjugate techniques for making macromolecule-drug conjugates.
| Canonical Smiles | COC(=O)SCl |
|---|---|
| IUPAC Name | methyl chlorosulfanylformate |
| InChIKey | TXJXPZVVSLAQOQ-UHFFFAOYSA-N |
| INCHI | 1S/C2H3ClO2S/c1-5-2(4)6-3/h1H3 |
| Isomeric SMILES | COC(=O)SCl |
| WGK Germany | 3 |
| Molecular Weight | 126.55 |
| Reaxy-Rn | 1849908 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1849908&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 | Thiocarbonyl compounds |
| Subclass | Organic thiocarbonic acid derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Organic thiocarbonic acid derivatives |
| Alternative Parents | Organic carbonic acids and derivatives Sulfenyl halides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Thiocarbonic acid derivative - Carbonic acid derivative - Sulfenyl halide - Sulfenyl compound - 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 organic thiocarbonic acid derivatives. These are organic compounds containing the thiocarbonic acid structure or a derivative thereof. |
| External Descriptors | Not available |
| Sensitivity | Moisture sensitive |
|---|---|
| Refractive Index | 1.48 |
| Flash Point(°F) | 129.2 °F |
| Flash Point(°C) | 54°C |
| Boil Point(°C) | 69°C/75mmHg |
| Molecular Weight | 126.560 g/mol |
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 125.954 Da |
| Monoisotopic Mass | 125.954 Da |
| Topological Polar Surface Area | 51.600 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 55.500 |
| 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 |
