2-Thiophenemethylamine - ≥97% , CAS No.27757-85-3

CAS: 27757-85-3 Cat. No.: T107120 Fórmula: C₅H₇NS Peso molecular: 113.18 Número CE: 248-639-6 PubChem CID: 34005

GRADE & PURITY ≥97%

Synonyms

thiophene methyl amine | 4-OH-7-3FmEt-3-quinolinecarboxylic acid | 5-aminomethylthiophene | 5-aminomethyl-thiophene | F2169-1040 | J-800143 | 2-thiophene methylamine | 2-Thienylmethylamine | Thiophenemethanamine | (thiophen-2-yl-methyl)amine | 2-Thenylami

Storage

Argon charged,Room temperature

Shipped In

Normal

Visão geral

a potential ligand replacement for poly(3-hexylthiophene)/CdSe hybrid solar cells.
2-Thiophenemethylamine was used in preparation of: · naphthalene-thiophene hybrid molecule (Z)-1-((thiophen-2-ylmethylamino)methylene)naphthalen-2(1H)-one · fluorescent Pd2+ sensor, N-butyl-4-(p-methyloxy)-phenylethynyl-5-thiophenemethylamino-1,8-naphthalimide Reactant involved in synthesis of: · Triazole-linked-thiopene conjugates for use as a biomimetic model for studies of metal detoxification and oxidative stress involving metallothionein · Serotonin 5-HT1A receptor antagonists which have neuroprotective affects against ischemic cell damage · Imidazole- and piperonyl-containing thiadiazoles and pyrimidines for use as inducible oxide synthase dimerization inhibitors · Optoelectronic segmented polyurethanes Reactant involved in: · Studies of organocatalyzed asymmetric reductive amination of ketones · Metal-free aerobic oxidative coupling of amines to imines

Specifications

Sinónimos

thiophene methyl amine | 4-OH-7-3FmEt-3-quinolinecarboxylic acid | 5-aminomethylthiophene | 5-aminomethyl-thiophene | F2169-1040 | J-800143 | 2-thiophene methylamine | 2-Thienylmethylamine | Thiophenemethanamine | (thiophen-2-yl-methyl)amine | 2-Thenylami

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

• Pubchem Sid: 504753518
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753518
• Sorrisos canónicos: C1=CSC(=C1)CN
• IUPAC Name: thiophen-2-ylmethanamine
• InChIKey: FKKJJPMGAWGYPN-UHFFFAOYSA-N
• INCHI: 1S/C5H7NS/c6-4-5-2-1-3-7-5/h1-3H,4,6H2
• SMILES isoméricas: C1=CSC(=C1)CN
• WGK Alemanha: 3
• PubChem CID: 34005
• Número UN: 3267
• Peso molecular: 113.18
• Reaxy-Rn: 106296

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Amines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aralkylamines
• Alternative Parents: Thiophenes Heteroaromatic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aralkylamine - Heteroaromatic compound - Thiophene - Organoheterocyclic compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary aliphatic amine - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group.
• 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

Alvos associados (humanos)

PNMT Tchem Phenylethanolamine N-methyltransferase (540 Activities)

Discover Target: PNMT

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

SK-BR-3 (5175 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Easily soluble in ethanol and Chloroform
• Sensibilidade: Air Sensitive
• Índice de refração: 1.567
• Ponto de inflamação (°F): 165.2 °F
• Ponto de inflamação (°C): 74 °C
• Ponto de ebulição (°C): 95-99°C
• Peso molecular: 113.180 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 113.03 Da
• Monoisotopic Mass: 113.03 Da
• Topological Polar Surface Area: 54.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 56.000
• 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

Referências

1. Nan Li, Shengfu Yang, Kan Zhang.  (2023)  Thiophene-Rich Benzoxazines with an Amide Moiety: Integration of Structural and Hydrogen Bonding Influence on the Polymerization Mechanism by Experimental and Computational Studies.  MACROMOLECULES,      [PMID:] [10.1021/acs.macromol.3c01515]

2. Jun Dai, Juan Yang, Xiaohan Wang, Lei Zhang, Yingjie Li.  (2015)  Enhanced visible-light photocatalytic activity for selective oxidation of amines into imines over TiO2(B)/anatase mixed-phase nanowires.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2015.04.232]

3. Kegui Li, Xiaoyan Gan, Ruojin Zheng, Haoran Zhang, Maling Xiang, Siqi Dai, Dingjin Du, Feng Zhang, Liling Guo, Hanxing Liu.  (2024)  Comparative Analysis of Thiophene-Based Interlayer Cations for Enhanced Performance in 2D Ruddlesden–Popper Perovskite Solar Cells.  ACS Applied Materials & Interfaces,      [PMID:38306453] [10.1021/acsami.3c16640]

4. Xiaoyan Gan, Kegui Li, Longtao Du, Ruoqi Wang, Yuge Chang, Liling Guo, Hanxing Liu.  (2024)  High-Quality Thiophene-Based Two-Dimensional Perovskite Films Prepared with Dual Additives and Their Application in Solar Cells.  ACS Omega,      [PMID:39583692] [10.1021/acsomega.4c05875]

5. Min Zhong, Ren Yin, Zichao Sun, Tianjia Jiang, Weichen Sheng, Kan Zhang.  (2024)  Synthesis and Polymerization of the Bio-Benzoxazine Derived from Resveratrol and Thiophenemethylamine and Properties of its Polymer.  MACROMOLECULAR CHEMISTRY AND PHYSICS,      [PMID:] [10.1002/macp.202400173]

6. Ye Meng, Jinshu Huang, Jie Li, Yumei Jian, Song Yang, Hu Li.  (2023)  Enzyme-mimicking single atoms enable selectivity control in visible-light-driven oxidation/ammoxidation to afford bio-based nitriles.  GREEN CHEMISTRY,  25  (11): (4453-4462).  [PMID:] [10.1039/D3GC00968H]

7. Junshuo Cui, Shuang Liu, Liangyu Guo, Zhongjun Li, Zuozhen Zhang, Ying Xiong.  (2025)  Thiophene-silane coupling agent for enhancing the dispersibility of graphene and its adsorption capacity for Mo(VI).  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2025.119879]

8. Linying Yan, Masoumeh Kianfar, Yuqian Liu, Yang Huang, Huining Xiao, Farzad Seidi.  (2025)  Tailoring Injectable Chitosan-Cellulose Quaternary Hydrogels Through Room-Temperature Diels-Alder for Accelerating Wound Healing.  Advanced Healthcare Materials,      [PMID:41220294] [10.1002/adhm.202503481]

9. Xu Yanling, Zhou Yue-Wen, Cai Zhen-Feng, Liu Qinlei.  (2026)  Catalyst-Free Oxidative Coupling of Amines to Imines in Microdroplets.  ACS Sustainable Chemistry & Engineering,  14  (30): (13689-13698).  [PMID:] [10.1021/acssuschemeng.6c04665]