S-(Thiobenzoyl)thioglycolic acid(TBTGA) - ≥99% , CAS No.942-91-6

CAS: 942-91-6 Cat. No.: S101895 Peso molecular: 212.29 Beilstein Registry Number: 9(4)1404 Número EC: 213-393-0 PubChem CID: 70336

GRADE & PURITY ≥99%

Synonyms

5-Nitro-2,4-dihydro-3H-1,2,4-triazol-3-one | EINECS 213-393-0 | Benzoic acid, ester with mercaptoacetic acid | 4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid | Benzoic acid, dithio-, carboxymethyl ester | AKOS000321343 | C9

Storage

Room temperature

Shipped In

Normal

Descripción general

S-(Thiobenzoyl)thioglycolic acid (TBTGA) also known as (thiobenzoylthio)acetic acid is a reagent used for thiobenzoylation. It participates in the transformation of threonine into β-methylcysteine.

Specifications

Sinónimos

5-Nitro-2, 4-dihydro-3H-1, 2, 4-triazol-3-one | EINECS 213-393-0 | Benzoic acid, ester with mercaptoacetic acid | 4-[2-(2-amino-4-oxo-1, 7-dihydropyrrolo[2, 3-d]pyrimidin-5-yl)ethyl]benzoic acid | Benzoic acid, dithio-, carboxymethyl ester | AKOS000321343 | C9

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 504754520
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754520
• Sonrisas canónicas: C1=CC=C(C=C1)C(=S)SCC(=O)O
• IUPAC Name: 2-(benzenecarbonothioylsulfanyl)acetic acid
• InChIKey: XBEIANFIOZTEDE-UHFFFAOYSA-N
• INCHI: 1S/C9H8O2S2/c10-8(11)6-13-9(12)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)
• Isómeros SMILES: C1=CC=C(C=C1)C(=S)SCC(=O)O
• WGK Alemania: 3
• PubChem CID: 70336
• Número ONU: 3335
• Peso molecular: 212.29
• Beilstein: 9(4)1404
• Reaxy-Rn: 975426

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Carbodithioic acid esters Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Carbodithioic ester - Sulfenyl compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

Objetivos asociados (humanos)

PAM Tchem Peptidyl-glycine alpha-amidating monooxygenase (90 Activities)

Discover Target: PAM

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Punto de fusión (°C): 125-127°C
• Peso molecular: 212.300 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 211.997 Da
• Monoisotopic Mass: 211.997 Da
• Topological Polar Surface Area: 94.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 198.000
• 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

Referencias

1. Qianqian Chen, Daofa Ying, Yiwen Chen, Hongxia Xie, Huaran Zhang, Chunyu Chang.  (2023)  Highly transparent, hydrophobic, and durable anisotropic cellulose films as electronic screen protectors.  CARBOHYDRATE POLYMERS,      [PMID:37028870] [10.1016/j.carbpol.2023.120735]

2. Xu Qingbo, Wang Xinyu, Xu Wei, Zhang YanYan, Xu Zhenzhen.  (2022)  Nanoparticle-free, Fluorine-free, and Robust Superhydrophobic Cotton Fabric Fabricated Using a Combination of Etching Method and Mist Polymerization Technology.  FIBERS AND POLYMERS,  23  (6): (1582-1594).  [PMID:] [10.1007/s12221-022-4992-4]

3. Qingbo Xu, Lujie Wang, Feiya Fu, Xiangdong Liu.  (2020)  Fabrication of fluorine-free superhydrophobic cotton fabric using fumed silica and diblock copolymer via mist modification.  PROGRESS IN ORGANIC COATINGS,      [PMID:] [10.1016/j.porgcoat.2020.105884]

4. Qingbo Xu, Liwen Shen, Panpan Duan, Lei Zhang, Feiya Fu, Xiangdong Liu.  (2019)  Superhydrophobic cotton fabric with excellent healability fabricated by the “grafting to” method using a diblock copolymer mist.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2019.122401]

5. Yibo Yan, Ruilin Yang, Yanan Wang, Yinan Wu, Xiaofei Gu, Xiaoqiang Qiao.  (2024)  Esterified styrene-maleic acid copolymer modified silica as mixed-mode polymer-brush stationary phases for chromatographic separation.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:39116685] [10.1016/j.chroma.2024.465227]

6. Yong Li, Wenjia Huang, Jinlin Chen, Shuangfei Xiang, Shujun Zhao, Feiya Fu, Xiangdong Liu.  (2024)  Janus cotton fabric with Dual-Discrepancies in surface energy and porosity for efficient thermal and moisture management.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.150873]

7. Ping Wang, Meijuan Xue, Xinhui Guan, Xiaofei Gu, Xiaoqiang Qiao.  (2026)  Preparation of styrene-maleic anhydride copolymer nanobrush chromatographic stationary phase and its application in phospholipid analysis of exosomes.  ANALYTICA CHIMICA ACTA,      [PMID:41796493] [10.1016/j.aca.2026.345260]