1-Octadecanethiol
PubChem CID: 17905
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1-OCTADECANETHIOL, octadecane-1-thiol, 2885-00-9, Octadecanethiol, n-Octadecyl mercaptan, Stearyl mercaptan, Octadecyl mercaptan, 1-Mercaptooctadecane, n-octadecanethiol, OCTADECANTHIOL, EINECS 220-744-1, MFCD00004886, DTXSID0062686, 17322-94-0, 1-Octadecyl mercaptan, C18H38S, stearylmercaptan, octadecane thiol, 1-octadecanthiol, mercaptooctadecane, Octadecylmercaptan, Mercaptan C18, 1-Octadecane thiol, nOctadecyl mercaptan, NSC 5545, 1-octadecylmercaptan, 1-Octadecanethiol, 98%, SCHEMBL25850, DTXCID8037887, NSC5545, NSC-5545, NSC11886, NSC-11886, AKOS015843216, DB-047474, 1-Octadecanethiol, purum, >=95.0% (GC), NS00019803, O0005, D70540 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 1.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Hydrocarbons |
| Deep Smiles | CCCCCCCCCCCCCCCCCCS |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Thiols |
| Classyfire Subclass | Alkylthiols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 145.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | octadecane-1-thiol |
| Veber Rule | False |
| Classyfire Superclass | Organosulfur compounds |
| Xlogp | 9.4 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C18H38S |
| Inchi Key | QJAOYSPHSNGHNC-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 16.0 |
| Synonyms | 1-octadecanethiol |
| Esol Class | Poorly soluble |
| Functional Groups | CS |
| Compound Name | 1-Octadecanethiol |
| Exact Mass | 286.269 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.269 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 286.6 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C18H38S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCCCCS |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Rosa Canina (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2019.1604167