Propanethioamide
PubChem CID: 2760628
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Thiopropionamide, Propanethioamide, 631-58-3, Thiopropanamide, propiothioamide, methylthioacetamide, 3-propanethioamide, Propanethioamide #, MFCD00059864, NSC400115, thiopropionic acid amide, Propanethioamide, AldrichCPR, DTXSID80375268, ALBB-031242, AKOS000129439, AT14776, CS-W016672, NSC-400115, T0669, EN300-37147, Z241091446, InChI=1/C3H7NS/c1-2-3(4)5/h2H2,1H3,(H2,4,5, 678-504-0 |
|---|---|
| Topological Polar Surface Area | 58.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 5.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 42.2 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | propanethioamide |
| Prediction Hob | 1.0 |
| Xlogp | 0.2 |
| Molecular Formula | C3H7NS |
| Prediction Swissadme | 0.0 |
| Inchi Key | WPZSAUFQHYFIPG-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | 0.214 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.764 |
| Compound Name | Propanethioamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 89.0299 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 89.0299 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 89.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.8623105999999998 |
| Inchi | InChI=1S/C3H7NS/c1-2-3(4)5/h2H2,1H3,(H2,4,5) |
| Smiles | CCC(=S)N |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ferula Assafoetida (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ferula Fukanensis (Plant) Rel Props:Source_db:cmaup_ingredients