4-Hydroxythiobenzamide - ≥98% , CAS No.25984-63-8

CAS: 25984-63-8 Cat. No.: H101894 Formula: C₇H₇NOS Peso molecolare: 153.2 Beilstein Registry Number: 10(3)419 Numero EC: 674-712-0

GRADE & PURITY ≥98%

Synonyms

A818133 | A5174 | Z90124534 | 4-hydroxybenzenecarbothioamide | 4-hydroxythiobenzamide, AldrichCPR | BBL010014 | BENZENECARBOTHIOAMIDE, 4-HYDROXY- | DTXSID40420703 | BCP12826 | GS-3132 | FT-0600967 | AC-5907 | VDTNKXSVUGXUOJ-UHFFFAOYSA-N | 4-Hydroxybenzene

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinonimi

A818133 | A5174 | Z90124534 | 4-hydroxybenzenecarbothioamide | 4-hydroxythiobenzamide, AldrichCPR | BBL010014 | BENZENECARBOTHIOAMIDE, 4-HYDROXY- | DTXSID40420703 | BCP12826 | GS-3132 | FT-0600967 | AC-5907 | VDTNKXSVUGXUOJ-UHFFFAOYSA-N | 4-Hydroxybenzene

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 488193135
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488193135
• Sorrisi canonici: C1=CC(=CC=C1C(=S)N)O
• IUPAC Name: 4-hydroxybenzenecarbothioamide
• InChIKey: VDTNKXSVUGXUOJ-UHFFFAOYSA-N
• INCHI: 1S/C7H7NOS/c8-7(10)5-1-3-6(9)4-2-5/h1-4,9H,(H2,8,10)
• Isomeri SMILES: C1=CC(=CC=C1C(=S)N)O
• CAS alternativo: 25984-63-8
• Peso molecolare: 153.2
• Beilstein: 10(3)419
• Reaxy-Rn: 1099844
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1099844&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass 1-hydroxy-2-unsubstituted benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: 1-hydroxy-2-unsubstituted benzenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-hydroxy-2-unsubstituted benzenoids
• Alternative Parents: Benzene and substituted derivatives Thioamides Thiocarboxylic acid amides Thiocarbonyl compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Thioamide - Thiocarboxylic acid amide - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Thiocarbonyl group - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that a unsubstituted at the 2-position.
• External Descriptors: Not available

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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in Methanol
• Sensibilità: Moisture sensitive
• Punto di fusione (°C): 181-185°C
• Peso molecolare: 153.200 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 153.025 Da
• Monoisotopic Mass: 153.025 Da
• Topological Polar Surface Area: 78.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 130.000
• 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

Riferimenti

1. Ruiwen Li, Jintao Yan, Bin Feng, Min Sun, Chuanfan Ding, Hao Shen, Jianhua Zhu, Shaoning Yu.  (2023)  Ultrasensitive Detection of Multidrug-Resistant Bacteria Based on Boric Acid-Functionalized Fluorescent MOF@COF.  ACS Applied Materials & Interfaces,      [PMID:37036801] [10.1021/acsami.3c00632]

2. Xu Yue, Du Yanwei, Liang Jingshi, Ding Xiaochu, Zhang Chunling, Zhang Zhihui, Liu Bo.  (2026)  Temporally Programmed H2O2 and H2S-Releasing Hydrogel Dressing for Accelerated Infected Wound Healing.  ACS Applied Polymer Materials,  8  (14): (11602-11617).  [PMID:] [10.1021/acsapm.6c01687]

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 25984-63-8, the molecular formula is C7H7NOS, and the molecular weight is 153.2 g/mol. InChIKey VDTNKXSVUGXUOJ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.