2-Cyanothiophene - ≥98%(GC) , CAS No.1003-31-2

CAS: 1003-31-2 Cat. No.: C153351 Formula: C₅H₃NS Peso molecolare: 109.15 Numero EC: 213-706-0

GRADE & PURITY ≥98%(GC)

Synonyms

F1967-1444 | 2-Thenylcyanide | EINECS 213-706-0 | 2-Thiophene carbonitrile | Z56946090 | AM20070640 | 2-Thiophenecarbonitrile | 2-Thiophenonitrile | DTXSID10143114 | W-108967 | thiopene-2-carbonitrile | Thiophenecarbonitrile | HMS1788B13 | 2-thiophencarbo

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinonimi

F1967-1444 | 2-Thenylcyanide | EINECS 213-706-0 | 2-Thiophene carbonitrile | Z56946090 | AM20070640 | 2-Thiophenecarbonitrile | 2-Thiophenonitrile | DTXSID10143114 | W-108967 | thiopene-2-carbonitrile | Thiophenecarbonitrile | HMS1788B13 | 2-thiophencarbo

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥98%(GC)

Nomi e identificatori

• Pubchem Sid: 488183725
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183725
• Sorrisi canonici: C1=CSC(=C1)C#N
• IUPAC Name: thiophene-2-carbonitrile
• InChIKey: CUPOOAWTRIURFT-UHFFFAOYSA-N
• INCHI: 1S/C5H3NS/c6-4-5-2-1-3-7-5/h1-3H
• Isomeri SMILES: C1=CSC(=C1)C#N
• WGK Germania: 3
• Peso molecolare: 109.15
• Reaxy-Rn: 107035
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107035&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Heteroaromatic compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Heteroaromatic compounds
• Alternative Parents: Thiophenes Nitriles Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Thiophene - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.
• 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Slightly miscible with water.
• Sensibilità: Moisture sensitive.
• Indice di rifrazione: 1.563
• Punto di infiammabilità (°F): 127.4 °F
• Punto di infiammabilità (°C): 53 °C
• Punto di ebollizione (°C): 192 °C
• Peso molecolare: 109.150 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 108.999 Da
• Monoisotopic Mass: 108.999 Da
• Topological Polar Surface Area: 52.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 102.000
• 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. Shiwei Ren, Zhuoer Wang, Wenqing Zhang, Yubing Ding, Zhengran Yi.  (2023)  Donor-Acceptor-Based Organic Polymer Semiconductor Materials to Achieve High Hole Mobility in Organic Field-Effect Transistors.  Polymers,  15  (18): (3713).  [PMID:37765568] [10.3390/polym15183713]

2. Hanning Zhang, Shuangyu Tian, Mu Li, Jinhai Xie, HongLian Dai, Liuyong Hu, Lesan Yan.  (2022)  Novel Donor–Acceptor Conjugated Polymer-Based Nanomicelles for Photothermal Therapy in the NIR Window.  BIOMACROMOLECULES,      [PMID:35862795] [10.1021/acs.biomac.2c00330]

3. Lei Yu, Shixiong Zhang, Liang Liu, Di Li, Yongli Cai, Chenxin Wu, Lei Hua, Haiyang Li, Dehui Deng, Ping Chen, Zhenfeng Xi, Jianping Guo, Junnian Wei.  (2026)  Direct cyanation of aromatic rings using dinitrogen and methane promoted by nonthermal plasma.  Science Advances,  12  (8):   [PMID:41719384] [10.1126/sciadv.ady3414]

Domande frequenti

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). 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 1003-31-2, the molecular formula is C5H3NS, and the molecular weight is 109.15 g/mol. InChIKey CUPOOAWTRIURFT-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.