|
Structure
|
|
| Relationships |
Total Number of functionally related protein(s) :
236
Total Number of Articles : 228
|
| PubChem |
4912
|
| Molecular Formula |
C31H48O2S2 |
| SMILES |
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC(C)(C)SC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C |
| InChI |
InChI=1S/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3 |
| synonyms |
- probucol
- 23288-49-5
- Bisphenabid
- Bisbid
- Lesterol
- Lursell
- Probucolum
- Probucolum [INN-Latin]
- Acetone bis(3,5-di-tert-butyl-4-hydroxyphenyl) mercaptole
- 4,4'-(Isopropylidenedithio)bis(2,6-di-tert-butylphenol)
- NSC 86225
- CCRIS 7510
- Serterol
- NSC 652160
- Phenol, 4,4'-[(1-methylethylidene)bis(thio)]bis[2,6-bis(1,1-dimethylethyl)-
- Acetone, bis(3,5-di-tert-butyl-4-hydroxyphenyl) mercaptole
- UNII-P3CTH044XJ
- EINECS 245-560-9
- P3CTH044XJ
- NSC-86225
- NSC-652160
- BRN 2026253
- CHEBI:8427
- DTXSID2045440
- 4,4'-(propane-2,2-diyldisulfanediyl)bis(2,6-di-tert-butylphenol)
- DTXCID0025440
- Phenol, 4,4'-((1-methylethylidene)bis(thio))bis(2,6-bis(1,1-dimethylethyl)-
- Probucol [USAN:USP:INN:BAN:JAN]
- Probucolum (INN-Latin)
- PROBUCOL (MART.)
Click to show/hide the synonyms
|
| Properties |
| Property |
Value |
| MW |
516.8 g/mol |
| HBD |
2 |
| HBA |
4 |
| Rotatable Bond Count |
8 |
| Exact Mass |
516.30957312 g/mol |
| Monoisotopic Mass |
516.30957312 g/mol |
| Heavy Atom Count |
35 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
583 |
| xlogp |
11.3 |
| Topological Polar Surface Area |
91.1 |
|