2-Ciano-3,3-bis(metiltio)acrilamida - ≥97% , CAS No.17823-69-7

CAS: 17823-69-7 Cat. No.: C191608 Peso molecular: 188.27

GRADE & PURITY ≥97%

Synonyms

2-cyano-3,3-bis(methylsulfanyl)prop-2-enamide | SY113032 | A881413 | 3,3-bis(methylthio)-2-cyanoacrylamide | bis(methythio)methylenecyanoacetamide | 2-cyano-3,3-bis(methylthio)acrylamide | 2-CYANO-3,3-BIS-METHYLSULFANYL-ACRYLAMIDE | SCHEMBL1416929 | 2-Pro

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-cyano-3, 3-bis(methylsulfanyl)prop-2-enamide | SY113032 | A881413 | 3, 3-bis(methylthio)-2-cyanoacrylamide | bis(methythio)methylenecyanoacetamide | 2-cyano-3, 3-bis(methylthio)acrylamide | 2-CYANO-3, 3-BIS-METHYLSULFANYL-ACRYLAMIDE | SCHEMBL1416929 | 2-Pro

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CSC(=C(C#N)C(=O)N)SC
• IUPAC Name: 2-cyano-3,3-bis(methylsulfanyl)prop-2-enamide
• InChIKey: ASRISBXJSAYCHP-UHFFFAOYSA-N
• INCHI: 1S/C6H8N2OS2/c1-10-6(11-2)4(3-7)5(8)9/h1-2H3,(H2,8,9)
• Isómeros SMILES: CSC(=C(C#N)C(=O)N)SC
• Peso molecular: 188.27
• Reaxy-Rn: 472294
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=472294&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Vinylogous thioesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Vinylogous thioesters
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Vinylogous thioesters
• Alternative Parents: Primary carboxylic acid amides Ketene acetals Sulfenyl compounds Nitriles Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Vinylogous thioester - Carboxamide group - Ketene acetal or derivatives - Primary carboxylic acid amide - Carboxylic acid derivative - Carbonitrile - Nitrile - Sulfenyl compound - Carbonyl group - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as vinylogous thioesters. These are organic compounds containing a thioester group, which is indirectly attached to a carbonyl via an intervening vinyl (>C=C<) moiety.
• 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

Propiedades químicas y físicas

• Peso molecular: 188.300 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 188.008 Da
• Monoisotopic Mass: 188.008 Da
• Topological Polar Surface Area: 117.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 232.000
• 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. Teng Xiangyu, Yu Shuxuan, Qiao Zezheng, Ge Zhixing, Yang Wenguang.  (2025)  Dual-responsive Tumbleweed-inspired Soft Robot Based on Poly(N‑isopropylacrylamide) and MoS2 for Targeted Drug Delivery in Stomach.  Journal of Bionic Engineering,      [PMID:] [10.1007/s42235-025-00650-7]

2. Qinghao Guo, Jin Wei, Shuxuan Yu, Xuehao Feng, Zhizheng Gao, Ruiqian Wang, Haibo Yu, Zhixing Ge, Wenguang Yang.  (2025)  Soft robots with different movement capabilities based on photo-responsive multilayer poly(N-isopropylacrylamide) and multi-walled carbon nanotubes.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:40120369] [10.1016/j.jcis.2025.137351]

3. Lianfei Zhao, Jingjing Fei, Wentian Wei, Qingpeng Zheng, Yiju Pang, Lizhe Liang.  (2025)  Tetramethylguanidine-Modified Graphene Oxide as a Gel Polymer Electrolyte Additive for Improving the Performance of Flexible Zinc-Air Batteries.  Small,      [PMID:39780651] [10.1002/smll.202410207]

4. Xiangyu Teng, Zhizheng Gao, Xuehao Feng, Shuliang Zhu, Wenguang Yang.  (2025)  Photothermal and Magnetic Actuation of Multimodal PNIPAM Hydrogel-Based Soft Robots.  Gels,  11  (9): (692).  [PMID:41002467] [10.3390/gels11090692]