| Sonrisas canónicas | C1=CC(=C(C=C1Cl)C(=O)O)S |
|---|---|
| IUPAC Name | 5-chloro-2-sulfanylbenzoic acid |
| InChIKey | BRJPZCDOLGSYPS-UHFFFAOYSA-N |
| INCHI | 1S/C7H5ClO2S/c8-4-1-2-6(11)5(3-4)7(9)10/h1-3,11H,(H,9,10) |
| Peso molecular | 188.63 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Sulfanylbenzoic acids and derivatives - O-sulfanylbenzoic acids and derivatives |
| Direct Parent | O-sulfanylbenzoic acids |
| Alternative Parents | Halobenzoic acids 3-halobenzoic acids Benzoic acids Thiophenols Benzoyl derivatives Chlorobenzenes Aryl chlorides Monocarboxylic acids and derivatives Carboxylic acids Thiols Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Halobenzoic acid - 3-halobenzoic acid - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - O-sulfanylbenzoic acid - Benzoic acid - Thiophenol - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Arylthiol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organosulfur compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Organochloride - Hydrocarbon derivative - Organohalogen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as o-sulfanylbenzoic acids. These are benzoic acids which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 2, respectively. |
| External Descriptors | Not available |
| Peso molecular | 188.630 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 187.97 Da |
| Monoisotopic Mass | 187.97 Da |
| Topological Polar Surface Area | 38.300 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 163.000 |
| 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 |
