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4-Phenoxythiophenol, with the chemical formula C10H9OS, is an organic compound that appears as a white to light brown solid. It is insoluble in water but readily soluble in organic solvents. 4-PHENOXYTHIOPHENOL is recognized for its role as a building block in the synthesis of pharmaceuticals and agrochemicals, and it is also utilized as a reagent in organic chemistry, especially for the formation of carbon-sulfur bonds. Furthermore, 4-Phenoxythiophenol's antioxidant properties suggest its potential use in the development of antioxidant products across various applications.

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  • 38778-05-1 Structure
  • Basic information

    1. Product Name: 4-PHENOXYTHIOPHENOL
    2. Synonyms: 4-PHENOXYTHIOPHENOL;4-PHENOXY-BENZENETHIOL
    3. CAS NO:38778-05-1
    4. Molecular Formula: C12H10OS
    5. Molecular Weight: 202.27
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 38778-05-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 128°C/0.1mm
    3. Flash Point: 140.3 °C
    4. Appearance: /
    5. Density: 1.171g/cm3
    6. Vapor Pressure: 0.00124mmHg at 25°C
    7. Refractive Index: 1.622
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 4-PHENOXYTHIOPHENOL(CAS DataBase Reference)
    11. NIST Chemistry Reference: 4-PHENOXYTHIOPHENOL(38778-05-1)
    12. EPA Substance Registry System: 4-PHENOXYTHIOPHENOL(38778-05-1)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: 20/21/22-36/37/38
    3. Safety Statements: 26-36/37/39
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 38778-05-1(Hazardous Substances Data)

38778-05-1 Usage

Uses

Used in Pharmaceutical and Agrochemical Industries:
4-Phenoxythiophenol is used as a building block for the synthesis of various pharmaceuticals and agrochemicals, contributing to the development of new drugs and pesticides due to its chemical properties and reactivity.
Used in Organic Chemistry as a Reagent:
In the realm of organic chemistry, 4-Phenoxythiophenol serves as a reagent, particularly for facilitating the formation of carbon-sulfur bonds, which are crucial in the synthesis of a wide range of organic compounds.
Used in Antioxidant Product Development:
4-Phenoxythiophenol is used as a potential antioxidant in the development of products designed to prevent or slow damage caused by oxidative stress, capitalizing on its inherent antioxidant properties for applications in various industries, including cosmetics, food, and health supplements.

Check Digit Verification of cas no

The CAS Registry Mumber 38778-05-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,8,7,7 and 8 respectively; the second part has 2 digits, 0 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 38778-05:
(7*3)+(6*8)+(5*7)+(4*7)+(3*8)+(2*0)+(1*5)=161
161 % 10 = 1
So 38778-05-1 is a valid CAS Registry Number.
InChI:InChI=1/C12H10OS/c14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,14H

38778-05-1Relevant articles and documents

Discovery of 3,5-Dimethyl-4-Sulfonyl-1 H-Pyrrole-Based Myeloid Cell Leukemia 1 Inhibitors with High Affinity, Selectivity, and Oral Bioavailability

Zhu, Peng-Ju,Yu, Ze-Zhou,Lv, Yi-Fei,Zhao, Jing-Long,Tong, Yuan-Yuan,You, Qi-Dong,Jiang, Zheng-Yu

, p. 11330 - 11353 (2021/08/24)

Myeloid cell leukemia 1 (Mcl-1) protein is a key negative regulator of apoptosis, and developing Mcl-1 inhibitors has been an attractive strategy for cancer therapy. Herein, we describe the rational design, synthesis, and structure-activity relationship study of 3,5-dimethyl-4-sulfonyl-1H-pyrrole-based compounds as Mcl-1 inhibitors. Stepwise optimizations of hit compound 11 with primary Mcl-1 inhibition (52%@30 μM) led to the discovery of the most potent compound 40 with high affinity (Kd = 0.23 nM) and superior selectivity over other Bcl-2 family proteins (>40,000 folds). Mechanistic studies revealed that 40 could activate the apoptosis signal pathway in an Mcl-1-dependent manner. 40 exhibited favorable physicochemical properties and pharmacokinetic profiles (F% = 41.3%). Furthermore, oral administration of 40 was well tolerated to effectively inhibit tumor growth (T/C = 37.3%) in MV4-11 xenograft models. Collectively, these findings implicate that compound 40 is a promising antitumor agent that deserves further preclinical evaluations.

Novel 2-arylthiopropanoyl-CoA inhibitors of α-methylacyl-CoA racemase 1A (AMACR; P504S) as potential anti-prostate cancer agents

Yevglevskis, Maksims,Nathubhai, Amit,Wadda, Katty,Lee, Guat L.,Al-Rawi, Suzanne,Jiao, Tingying,Mitchell, Paul J.,James, Tony D.,Threadgill, Michael D.,Woodman, Timothy J.,Lloyd, Matthew D.

, (2019/09/18)

α-Methylacyl-CoA racemase (AMACR; P504S) catalyses an essential step in the degradation of branched-chain fatty acids and the activation of ibuprofen and related drugs. AMACR has gained much attention as a drug target and biomarker, since it is found at elevated levels in prostate cancer and several other cancers. Herein, we report the synthesis of 2-(phenylthio)propanoyl-CoA derivatives which provided potent AMACR inhibitory activity (IC50 = 22–100 nM), as measured by the AMACR colorimetric activity assay. Inhibitor potency positively correlates with calculated logP, although 2-(3-benzyloxyphenylthio)propanoyl-CoA and 2-(4-(2-methylpropoxy)phenylthio)propanoyl-CoA were more potent than predicted by this parameter. Subsequently, carboxylic acid precursors were evaluated against androgen-dependent LnCaP prostate cancer cells and androgen-independent Du145 and PC3 prostate cancer cells using the MTS assay. All tested precursor acids showed inhibitory activity against LnCaP, Du145 and PC3 cells at 500 μM, but lacked activity at 100 μM. This is the first extensive structure-activity relationship study on the influence of side-chain interactions on the potency of novel rationally designed AMACR inhibitors.

ISOTHIOCYANATE COMPOUND AND APPLICATION THEREOF

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Paragraph 0092; 0093, (2018/02/28)

The present invention provides an isothiocyanate compound and its application. The compound is an aryl-substituted isothiocyanate compound that has a structure of the general formula I. The isothiocyanate compound of the present invention has very good solubility in water, far better inhibitory activity for XPO1 protein than other non-aryl substituted congeneric compounds, little side effects, and good biological safety and bioavailability, and is quite suitable for clinical application. Therefore, the isothiocyanate compound would have tremendous potential market space and economic benefits.

INHIBITORS OF MATRIX METALLOPROTEINASES TO TREAT NEUROLOGICAL DISORDERS

-

Page/Page column 65-66; 2/15, (2008/06/13)

The invention provides methods to treat neurological disorders, ophthalmological disorders, or a combination thereof by administering a compound that inhibits MMPs. A compound that inhibits MMPs is represented by the compound of formula (I) shown herein.

A Convenient Synthesis of a Selective Gelatinase Inhibitor as an Antimetastatic Agent

Lim, In Taek,Brown, Stephen,Mobashery, Shahriar

, p. 3572 - 3573 (2007/10/03)

Compound 1, 2-(4-phenoxyphenylsulfonylmethyl)thiirane, is a potent and selective inhibitor for human gelatinases (J. Am. Chem. Soc. 2000, 122, 6799-6800), enzymes implicated in a number of diseases, including cancer. This compound is showing excellent pro

Facile introduction of SH group on aromatic substrates via electrophilic substitution reactions

Becht, Jean-Michel,Wagner, Alain,Mioskowski, Charles

, p. 5758 - 5761 (2007/10/03)

Herein, we describe a mild and efficient two-step procedure to introduce a thiol group on aromatic substrates. First, reaction with an activated sulfoxide leads to an arylsulfonium salt intermediate. Then, two successive β-elimination-based dealkylation reactions afford the desired arylthiols in good to excellent yields.

α-amino-β-sulfonyl hydroxamic acid compounds

-

, (2008/06/13)

A family of molecules is disclosed that inhibit matrix metalloprotease (MMP) activity, and particularly inhibit the activity of one or more of MMP-2, MMP-9, or MMP-13, while generally exhibiting little activity against MMP-1. A contemplated compound also

Inhibitors of matrix metallaproteinases

-

, (2008/06/13)

The invention provides compounds that inhibit MMPs; methods for treating or preventing cancer, angiogenesis, arthritis, connective tissue disease, cardiovascular disease, inflammation or autoimmune disease in a mammal; a method for inhibiting a matrix met

The synthesis of new 2,4-diaminofuro[2,3-d]pyrimidines with 5-biphenyl, phenoxyphenyl and tricyclic substitutions as dihydrofolate reductase inhibitors

Gangjee,Dubash,Queener

, p. 935 - 942 (2007/10/03)

Nonclassical 2,4-diamino-5-substituted furo[2,3-d]pyrimidines 4a-i, 5a-b and 7a-f were synthesized as extended aromatic ring appended analogs of previously reported antifolates 1a-b. The extended aromatic system was designed to better interact with a phenylalanine residue (Phe69) of dihydrofolate reductase from the opportunistic pathogen Pneumocystis carinii to afford potent and selective inhibitors of Pneumocystis carinii dihydrofolate reductase. The target compounds were synthesized by nucleophilic displacement of 2,4-diamino-5-(chloromethyl)furo[2,3-d]pyrimidine 3 with the appropriate aromatic amine or thiol. The compounds were evaluated as inhibitors of dihydrofolate reductase from Pneumocystis carinii and Toxoplasma gondii, and their selectivity was determined using rat liver dihydrofolate reductase as the mammalian reference. In the C8-N9 bridged series, compound 4e, with a 3-(2-methoxydibenzofuran)- side chain, exhibited greatest potency and was more than 3 times as selective for Pneumocystis carinii dihydrofolate reductase compared to rat liver dihydrofolate reductase. Compounds 4b and 4c also exhibited selectivity. Compounds in the C8-S9 bridged series showed comparable potencies, and each showed higher selectivity for Pneumocystis carinii dihydrofolate reductase compared to rat liver dihydrofolate reductase.

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