Showing Metabocard for (2E)-thiogeraniol (BASm0010301)
| Common Name | (2e)-thiogeraniol |
|---|---|
| Description | Thiogeraniol is a flavouring and perfumery ingredien |
| Structure | |
| Molecular Formula | C10H18S |
| Average Mass | 170.31500 |
| Monoisotopic Mass | 170.11292 |
| IUPAC Name | (2Z)-3,7-dimethylocta-2,6-diene-1-thiol |
| Traditional Name | (2z)-3,7-dimethylocta-2,6-diene-1-thiol |
| CAS Registry Number | 39067-80-6 |
| SMILES | CC(C)=CCC/C(C)=C/CS |
| InChI Identifier | InChI=1S/C10H18S/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7- |
| InChI Key | FACAUSJJVBMWLV-YFHOEESVSA-N |
| CHEBI ID | CHEBI:143703 |
| HMDB ID | HMDB0036106 |
| State | Not Available |
| Water Solubility | 8.21e-02 g/l |
| logP | 4.17 |
| logS | -3.32 |
| pKa (Strongest Acidic) | 10.00 |
| pKa (Strongest Basic) | -9.70 |
| Hydrogen Acceptor Count | 0 |
| Hydrogen Donor Count | 1 |
| Polar Surface Area | 0 Ų |
| Rotatable Bond Count | 4 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 57.21 m³·mol⁻¹ |
| Polarizability | 21.29 |