4,4'-Dithiobis[2-(1,1-dimethylethyl)-phenol - CAS 7580-89-4
Catalog: |
BB066729 |
Product Name: |
4,4'-Dithiobis[2-(1,1-dimethylethyl)-phenol |
CAS: |
7580-89-4 |
Synonyms: |
Phenol, 4,4'-dithiobis[2-tert-butyl- (7CI,8CI) |
IUPAC Name: | 2-tert-butyl-4-[(3-tert-butyl-4-hydroxyphenyl)disulfanyl]phenol |
Description: | 4,4'-Dithiobis[2-(1,1-dimethylethyl)-phenol is used as a reactant for the fabrication of coatings based on epoxy resins for environmental protection of microelectronics. |
Molecular Weight: | 362.55 |
Molecular Formula: | C20H26O2S2 |
Canonical SMILES: | CC(C)(C)C1=C(C=CC(=C1)SSC2=CC(=C(C=C2)O)C(C)(C)C)O |
InChI: | InChI=1S/C20H26O2S2/c1-19(2,3)15-11-13(7-9-17(15)21)23-24-14-8-10-18(22)16(12-14)20(4,5)6/h7-12,21-22H,1-6H3 |
InChI Key: | BEIZJWUDCUUSEF-UHFFFAOYSA-N |
References: | Krysin, A. P., et al. Russ. J. Appl. Chem., 86, 997-1000 (2013). |
Complexity: | 361 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 362.13742241 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 362.13742241 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 91.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 6.7 |
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