| Canonical Smiles | CC1=CC=C(O1)S(=O)(=O)Cl |
|---|---|
| IUPAC Name | 5-methylfuran-2-sulfonyl chloride |
| InChIKey | YNNRJWKCQVUBDZ-UHFFFAOYSA-N |
| INCHI | 1S/C5H5ClO3S/c1-4-2-3-5(9-4)10(6,7)8/h2-3H,1H3 |
| Isomeric SMILES | CC1=CC=C(O1)S(=O)(=O)Cl |
| PubChem CID | 17864361 |
| Molecular Weight | 180.61 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Heteroaromatic compounds |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Heteroaromatic compounds |
| Alternative Parents | Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Furans Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Heteroaromatic compound - Sulfonyl - Sulfonyl halide - Sulfonyl chloride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Furan - Oxacycle - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. |
| External Descriptors | Not available |
| Molecular Weight | 180.610 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 179.965 Da |
| Monoisotopic Mass | 179.965 Da |
| Topological Polar Surface Area | 55.700 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 205.000 |
| 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 |
