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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 | CC1(CSC1)CO |
|---|---|
| IUPAC Name | (3-methylthietan-3-yl)methanol |
| InChIKey | DGKBZCVRJYWBAE-UHFFFAOYSA-N |
| INCHI | 1S/C5H10OS/c1-5(2-6)3-7-4-5/h6H,2-4H2,1H3 |
| Isomeric SMILES | CC1(CSC1)CO |
| Molecular Weight | 118.2 |
| Reaxy-Rn | 1236381 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1236381&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 | Organoheterocyclic compounds |
| Class | Thietanes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thietanes |
| Alternative Parents | Dialkylthioethers Primary alcohols Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Thietane - Dialkylthioether - Thioether - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as thietanes. These are heterocyclic compounds containing a saturated four-member ring with three carbon atoms and one sulfur atom. |
| External Descriptors | Not available |
| Molecular Weight | 118.200 g/mol |
|---|---|
| XLogP3 | 0.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 118.045 Da |
| Monoisotopic Mass | 118.045 Da |
| Topological Polar Surface Area | 45.500 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 68.500 |
| 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 |