2,2'-Thiobis(4-tert-pentylphenol)
Basic information
- CAS
98-26-0- Standard SMILES
CCC(C)(C)c1ccc(O)c(Sc2cc(C(C)(C)CC)ccc2O)c1- InChIKey
JEBLAEFSCWNZMT-UHFFFAOYSA-N- Molecular formula
- C22H30O2S
- Average molar mass
- 358.5 g/mol
- Monoisotopic mass
- 358.19665137
Names & identifiers
- Preferred name
- 2,2'-Thiobis(4-tert-pentylphenol)
- IUPAC
- 2-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]sulfanyl-4-(2-methylbutan-2-yl)phenol
- English name
- 2,2'-thiobis[4-tert-pentylphenol]
- Molecular formula
- C11H12OS2
- Molecular weight
- 224.34238
Names & synonyms
98-26-02,2'-Thiobis(4-tert-pentylphenol)2,2'-thiobis(4-(tert-pentyl)phenol)2,2'-thiobis[4-tert-pentylphenol]2,2'-Thiobis[4-(1,1-dimethylpropyl)phenol]EINECS 202-650-2Phenol, 2,2'-thiobis[4-tert-pentyl-2-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]sulfanyl-4-(2-methylbutan-2-yl)phenolQ2J7J95LZZPhenol, 2,2'-thiobis[4-(1,1-dimethylpropyl)-SCHEMBL3429219DTXSID10243360
Show more names
p-tert-Amylphenol disulfide4,4'-di-tert-pentyl-2,2'-sulfanediyl-di-phenol
JEBLAEFSCWNZMT-UHFFFAOYSA-NNS00041039F87595F9803432,2'-sulfanediylbis[4-(2-methylbutan-2-yl)phenol]2,2 inverted exclamation marka-Thiobis[4-(1,1-dimethylpropyl)phenol]4-(1,1-dimethylpropyl)-2-[5-(1,1-dimethylpropyl)-2-hydroxy-phenyl]sulfanyl-phenol
Database identifiers
- CAS
98-26-0- PubChem CID
- 66813
- DTXSID
DTXSID10243360- UNII
- Q2J7J95LZZ
- EC Number
- 202-650-2
- Nikkaji
- J182.128H
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 65.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 382
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- FDA UNII
- 2 J7J95LZZ · Q2J7J95LZZ
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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