| Sonrisas canónicas | CC1=C(C=C(S1)S(=O)(=O)Cl)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 5-methyl-4-nitrothiophene-2-sulfonyl chloride |
| InChIKey | BWPJUUORYGNWKW-UHFFFAOYSA-N |
| INCHI | 1S/C5H4ClNO4S2/c1-3-4(7(8)9)2-5(12-3)13(6,10)11/h2H,1H3 |
| Peso molecular | 241.7 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Thiophenes |
| Subclass | Nitrothiophenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 3-nitrothiophenes |
| Alternative Parents | Nitroaromatic compounds 2,3,5-trisubstituted thiophenes Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 3-nitrothiophene - Nitroaromatic compound - 2,3,5-trisubstituted thiophene - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl chloride - Heteroaromatic compound - Sulfonyl halide - Sulfonyl - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Organonitrogen compound - Organic cation - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as 3-nitrothiophenes. These are aromatic heterocyclic compound containing a nitro group attached to a thiophene ring a the 3-position. |
| External Descriptors | Not available |
| Peso molecular | 241.700 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 240.927 Da |
| Monoisotopic Mass | 240.927 Da |
| Topological Polar Surface Area | 117.000 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 305.000 |
| 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 |
