2-Butene-1-thiol
PubChem CID: 6433451
Connections displayed (default: 10).
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| Compound Synonyms | 2-BUTENE-1-THIOL, (E)-but-2-ene-1-thiol, 5954-72-3, (e)-2-butene-1-thiol, 2-Buten-1-thiol, 58688-79-2, E-2-Buten-1-thiol, DTXSID501315043, (2E)-BUT-2-ENE-1-THIOL |
|---|---|
| Topological Polar Surface Area | 1.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 5.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 30.6 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-but-2-ene-1-thiol |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Molecular Formula | C4H8S |
| Prediction Swissadme | 0.0 |
| Inchi Key | PSKWBKFCLVNPMT-NSCUHMNNSA-N |
| Fcsp3 | 0.5 |
| Logs | -1.827 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.539 |
| Compound Name | 2-Butene-1-thiol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 88.0347 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 88.0347 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 88.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.1963849999999998 |
| Inchi | InChI=1S/C4H8S/c1-2-3-4-5/h2-3,5H,4H2,1H3/b3-2+ |
| Smiles | C/C=C/CS |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Achillea Alpina (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Achillea Millefolium (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Achillea Wilsoniana (Plant) Rel Props:Source_db:cmaup_ingredients