Phenol, 2,2'-thiobis-
Basic information
- CAS
13693-59-9- Standard SMILES
Oc1ccccc1Sc1ccccc1O- InChIKey
BLDLRWQLBOJPEB-UHFFFAOYSA-N- Molecular formula
- C12H10O2S
- Average molar mass
- 218.27 g/mol
- Monoisotopic mass
- 218.04015073
Names & identifiers
- Preferred name
- Phenol, 2,2'-thiobis-
- IUPAC
- 2-(2-hydroxyphenyl)sulfanylphenol
- English name
- NSC 522657
- Molecular formula
- C12H10O2S
- Molecular weight
- 218.27
Names & synonyms
Phenol, 2,2'-thiobis-13693-59-92,2'-Dihydroxydiphenyl sulfidePhenol, 2,2'-thiodi-NSC 522657DTXSID8065585RefChem:860690DTXCID7034389Phenol, 2,2'-thiodi-(8CI)Bis(2-hydroxyphenyl)sulfide2-(2-hydroxyphenyl)sulfanylphenol2,2-Dihydroxydiphenyl sulfide
Show more names
2,2'-Thiobisphenol
2,2'-ThiodiphenolQH3EAR2XH52-[(2-HYDROXYPHENYL)SULFANYL]PHENOLNSC-5226572,2'-Thiobis(phenol)2,2'-Thiobis[phenol]thiodiphenolmonothiobisphenol
Database identifiers
- CAS
13693-59-9- PubChem CID
- 83665
- DTXSID
DTXSID8065585- UNII
- QH3EAR2XH5
- Nikkaji
- J81.666C
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 65.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Melting point
- 95 °C · 95 °C
- Boiling point
- 136 · 136-146 °C(Press: 1 Torr)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 8.57 · 8.57±0.35(Predicted)
- FDA UNII
- 3 EAR2XH5 · QH3EAR2XH5
- EPA Substance Registry System
- 2 · Phenol, 2,2'-thiobis- (13693-59-9)
- 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.
Hazard information
Regulatory InformationChemical: Phenol, 2,2'-thiobis-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 2,2'-thiobis-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…