| Canonical Smiles | C(C(=S)N)C(F)(F)F |
|---|---|
| IUPAC Name | 3,3,3-trifluoropropanethioamide |
| InChIKey | MOHVUNKPSQGYFW-UHFFFAOYSA-N |
| INCHI | 1S/C3H4F3NS/c4-3(5,6)1-2(7)8/h1H2,(H2,7,8) |
| Molecular Weight | 143.130 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organosulfur compounds |
| Class | Thioamides |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thioamides |
| Alternative Parents | Thiocarboxylic acid amides Thiocarbonyl compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Thioamide - Thiocarboxylic acid amide - Organic nitrogen compound - Hydrocarbon derivative - Thiocarbonyl group - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as thioamides. These are organic compounds containing the functional group with the general structure R-CS-NR'R, where R, R', and R are organic groups. |
| External Descriptors | Not available |
| Molecular Weight | 143.130 g/mol |
|---|---|
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 143.002 Da |
| Monoisotopic Mass | 143.002 Da |
| Topological Polar Surface Area | 58.100 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 97.200 |
| 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 |
