Basic information
- CAS
1620-48-0- Standard SMILES
CC(C)(C)c1cc(CS)cc(C(C)(C)C)c1O- InChIKey
SMMZXHBQLPPFJF-UHFFFAOYSA-N- Molecular formula
- C15H24OS
- Average molar mass
- 252.4 g/mol
- Monoisotopic mass
- 252.15478656
Names & identifiers
- Preferred name
- 2,6-Di-tert-butyl-alpha-mercapto-p-cresol
- IUPAC
- 2,6-ditert-butyl-4-(sulfanylmethyl)phenol
- English name
- 2,6-di-tert-butyl-alpha-mercapto-p-cresol
- Molecular formula
- C15H24OS
- Molecular weight
- 252.42
Names & synonyms
1620-48-02,6-Di-tert-butyl-alpha-mercapto-p-cresol2,6-ditert-butyl-4-(sulfanylmethyl)phenol2,6-BIS(TERT-BUTYL)-4-(MERCAPTOMETHYL)PHENOL2,6-Bis(1,1-dimethylethyl)-4-(mercaptomethyl)phenol2,6-di-tert-butyl-4-(sulfanylmethyl)phenolEINECS 216-585-2SCHEMBL5072032SCHEMBL5353910DTXSID40167282SMMZXHBQLPPFJF-UHFFFAOYSA-NHTS10875
Show more names
3,5-di-t-butyl-4-hydroxybenzyl mercaptanDB-313168NS000252893,5-di-tert.-butyl-4-hydroxybenzyl mercaptanQ65653770Phenol, 2,6-bis(1,1-dimethylethyl)-4-(mercaptomethyl)-
Database identifiers
- CAS
1620-48-0- PubChem CID
- 74178
- DTXSID
DTXSID40167282- EC Number
- 216-585-2
- Nikkaji
- J195.244G
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 21.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 225
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 31 · 31-33 °C
- Boiling point
- 311.8 · 311.8±37.0 °C(Predicted)
- Density
- 1.003 · 1.003±0.06 g/cm3(Predicted)
- pka
- 9.77 · 9.77±0.25(Predicted)
Chemistry & industry
Suppliers3 total
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
2 records
Compound notes
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