Bis-(4-hydroxybenzyl)sulfide
PubChem CID: 23651847
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | bis-(4-hydroxybenzyl)sulfide, CHEMBL224380, CHEBI:65500, 4,4'-(sulfanediyldimethanediyl)diphenol, 4-[(4-hydroxyphenyl)methylsulfanylmethyl]phenol, 38204-93-2, Phenol, 4,4'-[thiobis(methylene)]bis-, bis(4-hydroxybenzyl)sulfide, 4-hydroxyphenylmethyl sulfide, SCHEMBL63777, 4-hydroxyphenylmethyl sulphide, OEISQDWSEZCYNH-UHFFFAOYSA-N, BDBM50208946, Q27133941 |
|---|---|
| Topological Polar Surface Area | 65.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 184.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P30543 |
| Iupac Name | 4-[(4-hydroxyphenyl)methylsulfanylmethyl]phenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C14H14O2S |
| Prediction Swissadme | 0.0 |
| Inchi Key | OEISQDWSEZCYNH-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -4.114 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.031 |
| Compound Name | Bis-(4-hydroxybenzyl)sulfide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 246.071 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 246.071 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 246.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6101051411764704 |
| Inchi | InChI=1S/C14H14O2S/c15-13-5-1-11(2-6-13)9-17-10-12-3-7-14(16)8-4-12/h1-8,15-16H,9-10H2 |
| Smiles | C1=CC(=CC=C1CSCC2=CC=C(C=C2)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gastrodia Elata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Pleuropterus Ciliinervis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all