4,4′-Thiodiphenol(TDP) - ≥98% , CAS No.2664-63-3

CAS: 2664-63-3 Cat. No.: T101808 Molecular Weight: 218.27 Beilstein Registry Number: 6860 EC Number: 220-197-9 PubChem CID: 17570

GRADE & PURITY ≥98%

Synonyms

TDP | 4,4`-Thiodiphenol | Phenol,4'-thiobis- | J-514035 | PHENOL, P,P'-THIOBIS- | PHENOL, P,P'-THIODI- | 4-(4-hydroxyphenylthio)phenol | 4,4'-Dioxydiphenylsulfide | FT-0623039 | 4-[(4-hydroxyphenyl)sulfanyl]phenol | E83012 | MFCD00002349 | DTXSID9047960 |

Storage

Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Specifications

Synonyms

TDP | 4, 4`-Thiodiphenol | Phenol, 4'-thiobis- | J-514035 | PHENOL, P, P'-THIOBIS- | PHENOL, P, P'-THIODI- | 4-(4-hydroxyphenylthio)phenol | 4, 4'-Dioxydiphenylsulfide | FT-0623039 | 4-[(4-hydroxyphenyl)sulfanyl]phenol | E83012 | MFCD00002349 | DTXSID9047960 |

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged, Desiccated, Cool

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC(=CC=C1O)SC2=CC=C(C=C2)O
• IUPAC Name: 4-(4-hydroxyphenyl)sulfanylphenol
• InChIKey: VWGKEVWFBOUAND-UHFFFAOYSA-N
• INCHI: 1S/C12H10O2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H
• Isomeric SMILES: C1=CC(=CC=C1O)SC2=CC=C(C=C2)O
• WGK Germany: 2
• RTECS: SN0800000
• PubChem CID: 17570
• UN Number: 3261
• Molecular Weight: 218.27
• Beilstein: 6860
• Reaxy-Rn: 2050739

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Class Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Class: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diarylthioethers
• Alternative Parents: Thiophenol ethers 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Sulfenyl compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diarylthioether - Thiophenol ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Sulfenyl compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.
• External Descriptors: phenols

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ESR2 Tclin Estrogen receptor beta (9272 Activities)

Discover Target: ESR2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MTNR1A Tclin Melatonin receptor 1A (2519 Activities)

Discover Target: MTNR1A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RNASEL Tchem RNase L (193 Activities)

Discover Target: RNASEL

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NR1H2 Tchem LXR-beta (3841 Activities)

Discover Target: NR1H2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Melatonin receptor 1B (19 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water; Soluble in Ether,Alcohol
• Sensitivity: Air sensitive.
• Melt Point(°C): 154-156°C
• Molecular Weight: 218.270 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 218.04 Da
• Monoisotopic Mass: 218.04 Da
• Topological Polar Surface Area: 65.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 162.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Liu Yuan-Biao, Shi Gao-Peng, Wu Guo-Zhang.  (2021)  Tuning the Johari-Goldstein β-Relaxation and Its Separation from α-Relaxation of Poly(n-alkyl methacrylate)s by Small Molecule-bridged Hydrogen Bonds.  CHINESE JOURNAL OF POLYMER SCIENCE,  39  (11): (1459-1469).  [PMID:] [10.1007/s10118-021-2595-y]

2. Ronghua Yu, Shengda Wang, Yue Zhu, Qianyu Li, Jiangan You, Jian Qiu, Yanhui Wang, Jie Liu, Tao Tang.  (2023)  Efficiently predicting and synthesizing intrinsic highly fire-safe polycarbonates with processability.  Journal of Materials Chemistry A,  11  (17): (9700-9708).  [PMID:] [10.1039/D3TA01200J]

3. Qian Wu, Jing Jiang, Fei Xie, Chao Cui, Zibo Hua, Li Liu, Yudong Huang.  (2022)  Novel hybrid silicone resin composites with excellent low dielectric and high temperature mechanical properties.  COMPOSITES COMMUNICATIONS,      [PMID:] [10.1016/j.coco.2022.101288]

4. Qian Liu, Wentao Shao, Zhenkun Weng, Xin Zhang, Guipeng Ding, Cheng Xu, Jin Xu, Zhaoyan Jiang, Aihua Gu.  (2020)  In vitro evaluation of the hepatic lipid accumulation of bisphenol analogs: A high-content screening assay.  TOXICOLOGY IN VITRO,      [PMID:32763284] [10.1016/j.tiv.2020.104959]

5. Yuan Liu, Yunyan Peng, Jun Luo, Jingkai Liu, Xiaoqing Liu.  (2020)  Investigation on the Effects of Bridging Groups in Aromatic Diphenol-Based Benzoxazines: Curing Reaction and H Bonds.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.0c01300]

6. Feihu Li, Bingtao Tang, Suli Wu, Wei Ma, Shufen Zhang.  (2017)  Bright structural coloration from organic polymeric photonic crystals with robust heat-resistance.  Journal of Materials Chemistry C,  5  (37): (9806-9811).  [PMID:] [10.1039/C7TC03461J]

7. Xiaolu Sun, Shilin Wang, Siyuan Dong, Xi Chen, Xinbo Dong, Yang Wang, Xigao Jian, Cheng Liu.  (2026)  Synthesis and Degradation Mechanisms of Schiff-base-containing Phthalonitrile Resins: Thermal Stability and Bond Reconfiguration.  POLYMER DEGRADATION AND STABILITY,      [PMID:] [10.1016/j.polymdegradstab.2026.111945]