CID 53630653
PubChem CID: 53630653
Connections displayed (default: 10).
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| Topological Polar Surface Area | 25.3 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 5.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 13.1 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methylsulfanylpropane |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C4H8S |
| Prediction Swissadme | 0.0 |
| Inchi Key | UFSWWJKVZPNKPQ-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -4.589 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.123 |
| Compound Name | CID 53630653 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 88.0347 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 88.0347 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 88.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.3697849999999998 |
| Inchi | InChI=1S/C4H8S/c1-3-4-5-2/h1-4H2 |
| Smiles | [CH2-]CCS[CH2+] |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nasturtium Officinale (Plant) Rel Props:Source_db:cmaup_ingredients