(2S)-heptane-2-thiol
PubChem CID: 76961478
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| Compound Synonyms | DAZNOIJJVKASGS-ZETCQYMHSA-N |
|---|---|
| Topological Polar Surface Area | 1.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 43.7 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-heptane-2-thiol |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C7H16S |
| Prediction Swissadme | 0.0 |
| Inchi Key | DAZNOIJJVKASGS-ZETCQYMHSA-N |
| Fcsp3 | 1.0 |
| Logs | -3.463 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.739 |
| Compound Name | (2S)-heptane-2-thiol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 132.097 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 132.097 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 132.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.4624863999999995 |
| Inchi | InChI=1S/C7H16S/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3/t7-/m0/s1 |
| Smiles | CCCCC[C@H](C)S |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients