Basic information
- CAS
18525-99-0- Standard SMILES
Cc1cc(Sc2cc(C)c(O)c(C)c2)cc(C)c1O- InChIKey
JPSMTGONABILTP-UHFFFAOYSA-N- Molecular formula
- C16H18O2S
- Average molar mass
- 274.4 g/mol
- Monoisotopic mass
- 274.10275099
Names & identifiers
- Preferred name
- 4,4'-Thiobis(2,6-xylenol)
- IUPAC
- 4-(4-hydroxy-3,5-dimethylphenyl)sulfanyl-2,6-dimethylphenol
- English name
- 4,4'-thiobis[2,6-xylenol]
- Molecular formula
- C16H18O2S
- Molecular weight
- 274.37792
Names & synonyms
18525-99-04,4'-Thiobis(2,6-xylenol)4-(4-hydroxy-3,5-dimethylphenyl)sulfanyl-2,6-dimethylphenol4,4'-Thiobis(2,6-dimethylphenol)4,4'-Thiobis[2,6-dimethylphenol]EINECS 242-401-54,4/'-thiobis[2,6-xylenol]MFCD00797321SCHEMBL70958DTXSID201717614,4'-Thio-bis(2,6-dimethylphenol)Phenol, 4,4'-thiobis[2,6-dimethyl-
Show more names
4,4'-Thiodi(2,6-xylenol)4,4'-thiobis[2,6-xylenol]4,4'-Thiodi(2,6-dimethylphenol)4,4zzhlxy-Thiodi(2,6-dimethylphenol)
4,4'-Sulfanediylbis(2,6-dimethylphenol)NS00026076
Database identifiers
- CAS
18525-99-0- PubChem CID
- 87692
- DTXSID
DTXSID20171761- EC Number
- 242-401-5
- Nikkaji
- J222.232I
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 65.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 244
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 187.5 · 187.5-189.0 °C(Solv: benzene (71-43-2))
- Boiling point
- 452 · 452.0±45.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 9.97 · 9.97±0.36(Predicted)
Chemistry & industry
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…