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trimethyl(thiophen-2-yl)silane

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DataCite Commons2025-12-11 更新2026-04-25 收录
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This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367]. The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]: InChI descriptor[cheminf_000113]: InChI=1S/C7H12SSi/c1-9(2,3)7-5-4-6-8-7/h4-6H,1-3H3, and canonical SMILES descriptor[cheminf_000007]: C[Si](c1cccs1)(C)C, and by the IUPAC name[cheminf_000107]: trimethyl(thiophen-2-yl)silane. The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]: CC(O)=O The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-59140 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]: Melting point descriptor[CHEMINF_000256]: Boiling point descriptor[CHEMINF_000257]: Refractive index descriptor[CHEMINF_000253]: The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]: CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT) CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT) CHMO:0001150 | 1H--1H correlation spectroscopy (1H-1H COSY) CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) CHMO:0001148 | 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR) CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR) The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: Used ontologies: CHEBI - Chemical Entities of Biological Interest CHEMINF - chemical information ontology (information entities about chemical entities) CHMO - Chemical Methods Ontology OBI - Ontology for Biomedical Investigations

本项为与某分子[CHEBI_25367]相关联的物理化学实体[CHEBI_24431]。该分子[CHEBI_25367]可通过以下结构描述符(structural descriptors)[cheminf_000085]进行表征:InChI描述符(InChI descriptor)[cheminf_000113]:InChI=1S/C7H12SSi/c1-9(2,3)7-5-4-6-8-7/h4-6H,1-3H3;标准SMILES描述符(canonical SMILES descriptor)[cheminf_000007]:C[Si](c1cccs1)(C)C;以及IUPAC命名(IUPAC name)[cheminf_000107]:三甲基(噻吩-2-基)硅烷。 该物理化学实体[CHEBI_24431]包含组分溶剂[CHEBI_46787],其对应的标准SMILES描述符[cheminf_000007]为:CC(O)=O。 该物理化学实体[CHEBI_24431]在科研数据仓库chemotion(www.chemotion-repository.net,https://doi.org/10.25504/FAIRsharing.iagXcR)中注册的样本编号为:CRS-59140。 该物理化学实体[CHEBI_24431]可通过以下物理描述符(physical descriptors)[CHEMINF_000025]进行表征:熔点描述符(melting point descriptor)[CHEMINF_000256]、沸点描述符(boiling point descriptor)[CHEMINF_000257]、折射率描述符(refractive index descriptor)[CHEMINF_000253](原文未给出具体数值)。 该物理化学实体[CHEBI_24431]还可通过以下分析测试方法(assays)[OBI:0000070][CHMO:0001133]进行表征: CHMO:0000596 | 无畸变极化转移增强(distortionless enhancement with polarization transfer, DEPT) CHMO:0000596 | 无畸变极化转移增强(distortionless enhancement with polarization transfer, DEPT) CHMO:0001150 | 1H-1H相关光谱(1H--1H correlation spectroscopy, 1H-1H COSY) CHMO:0001146 | 1H-13C异核单量子相干(1H--13C heteronuclear single quantum coherence, 1H-13C HSQC) CHMO:0001148 | 1H-13C异核多键相干(1H--13C heteronuclear multiple bond coherence, 13C-1H HMBC) CHMO:0000593 | 1H核磁共振波谱法(1H nuclear magnetic resonance spectroscopy, 1H NMR) CHMO:0000595 | 13C核磁共振波谱法(13C nuclear magnetic resonance spectroscopy, 13C NMR) 该物理化学实体[CHEBI_24431]已被存入卡尔斯鲁厄理工学院(Karlsruhe Institute of Technology, KIT)的分子档案库,其对应的样本编号为: 所用本体如下: CHEBI:生物感兴趣的化学实体(Chemical Entities of Biological Interest) CHEMINF:化学信息本体(information entities about chemical entities) CHMO:化学方法本体(Chemical Methods Ontology) OBI:生物调查本体(Ontology for Biomedical Investigations)
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chemotion-repository
创建时间:
2025-12-11
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