Basic information
- CAS
3818-54-0- Standard SMILES
Cc1cc(O)cc(C(C)(C)C)c1Sc1c(C)cc(O)cc1C(C)(C)C- InChIKey
MHIIENSHBMGNJE-UHFFFAOYSA-N- Molecular formula
- C22H30O2S
- Average molar mass
- 358.5 g/mol
- Monoisotopic mass
- 358.19665137
Names & identifiers
- Preferred name
- Phenol, 4,4'-thiobis[3-(1,1-dimethylethyl)-5-methyl-
- IUPAC
- 3-tert-butyl-4-(2-tert-butyl-4-hydroxy-6-methylphenyl)sulfanyl-5-methylphenol
- English name
- 4,4'-thiobis[5-tert-butyl-m-cresol]
- Molecular formula
- C22H30O2S
- Molecular weight
- 358.5374
Names & synonyms
EINECS 223-307-3Phenol, 4,4'-thiobis(3-(1,1-dimethylethyl)-5-methyl-Phenol, 4,4'-thiobis[3-(1,1-dimethylethyl)-5-methyl-RefChem:8611633818-54-04,4'-Thiobis(5-tert-butyl-m-cresol)4,4'-Thiobis[5-tert-butyl-m-cresol]SCHEMBL2327164DTXSID8063202MHIIENSHBMGNJE-UHFFFAOYSA-NNS000303524,4'-Sulfanediylbis(3-tert-butyl-5-methylphenol)
Show more names
4,4'-Thiobis[3-(1,1-dimethylethyl)-5-methylphenol]
Database identifiers
- CAS
3818-54-0- PubChem CID
- 77435
- DTXSID
DTXSID8063202- EC Number
- 223-307-3
- Nikkaji
- J217.701C
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 65.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 396
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- EPA Substance Registry System
- 4 · 4,4'-Thiobis[5-tert-butyl-m-cresol] (3818-54-0)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 4,4'-thiobis[3-(1,1-dimethylethyl)-5-methyl-: INACTIVE
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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