Thieno[3,2-b]thiophene - ≥98% , CAS No.251-41-2

CAS: 251-41-2 Cat. No.: T119992 Peso molecular: 140.23 Beilstein Registry Number: 19(5)1,429 Número EC: 626-295-1 PubChem CID: 136063

GRADE & PURITY ≥98%

Synonyms

1,4-Dithiapentalene | C6H4S2 | YSWG277 | thienothiophene | SCHEMBL29149 | (3aS-cis)-1,2,3,3a,8,8a-Hexahydro-1,3a,8-trimethylpyrrolo(2,3-b)indol-5-ol methylcarbamate (ester) | HY-34607 | Kyselina amidosulfonova [Czech] | J1Z | FT-0649134 | 1,4-Thiophthene

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

1, 4-Dithiapentalene | C6H4S2 | YSWG277 | thienothiophene | SCHEMBL29149 | (3aS-cis)-1, 2, 3, 3a, 8, 8a-Hexahydro-1, 3a, 8-trimethylpyrrolo(2, 3-b)indol-5-ol methylcarbamate (ester) | HY-34607 | Kyselina amidosulfonova [Czech] | J1Z | FT-0649134 | 1, 4-Thiophthene

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488187841
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187841
• Sonrisas canónicas: C1=CSC2=C1SC=C2
• IUPAC Name: thieno[3,2-b]thiophene
• InChIKey: VJYJJHQEVLEOFL-UHFFFAOYSA-N
• INCHI: 1S/C6H4S2/c1-3-7-6-2-4-8-5(1)6/h1-4H
• Isómeros SMILES: C1=CSC2=C1SC=C2
• WGK Alemania: 3
• PubChem CID: 136063
• Peso molecular: 140.23
• Beilstein: 19(5)1,429
• Reaxy-Rn: 110009

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Thienothiophenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Thienothiophenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thienothiophenes
• Alternative Parents: Thiophenes Heteroaromatic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Thienothiophene - Heteroaromatic compound - Thiophene - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as thienothiophenes. These are organic compounds containing two thiophene rings fused to each other.
• 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

• Solubilidad: Soluble in Methanol
• Sensibilidad: air sensitive
• Punto de ebullición (°C): 71°C
• Punto de fusión (°C): 56°C
• Peso molecular: 140.200 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 139.975 Da
• Monoisotopic Mass: 139.975 Da
• Topological Polar Surface Area: 56.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 80.500
• 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. Tong Zhou, Xue Xia, Heping Cui, Khizar Hayat, Xiaoming Zhang, Chi-Tang Ho.  (2023)  Promotion or Inhibition Effects of Exogenous Glutathione-Degraded Amino Acids on the Formation of 2,3-Butanedione and Pyrazines via Varied Pathways of Interaction with α-Dicarbonyl Compounds Derived from N-(1-Deoxy-d-xylulos-1-yl)-alanine.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:37737140] [10.1021/acs.jafc.3c04424]

2. Tong Zhou, Xue Xia, Heping Cui, Yun Zhai, Foxin Zhang, Khizar Hayat, Xiaoming Zhang, Chi-Tang Ho.  (2023)  Cysteine-Induced pH-Dependent Formation of Thiols and Sulfides or 2-Acetylthiazole and Pyrazines during Thermal Treatment of N-(1-Deoxy-d-xylulos-1-yl)-alanine.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:36696632] [10.1021/acs.jafc.2c08360]

3. Fangli Yi, Qing Yang, Xinyu Li, Yiqi Yuan, Hongmei Cao, Kewei Liu, Hongjian Yan.  (2022)  A 1,3,5-triazine and benzodithiophene based donor-acceptor type semiconducting conjugated polymer for photocatalytic overall water splitting.  JOURNAL OF SOLID STATE CHEMISTRY,      [PMID:] [10.1016/j.jssc.2022.123769]

4. Tong Zhou, Xue Xia, Heping Cui, Khizar Hayat, Xiaoming Zhang, Chi-Tang Ho.  (2022)  Competitive Formation of 2,3-Butanedione and Pyrazines through Intervention of Added Cysteine during Thermal Processing of Alanine-Xylose Amadori Compounds.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:36444759] [10.1021/acs.jafc.2c07026]

5. Shengbo Zhu, Zhongwei An, Xinbing Chen, Pei Chen, Qianfeng Liu.  (2015)  Cyclic thiourea functionalized dyes with binary π-linkers: Influence of different π-conjugation segments on the performance of dye-sensitized solar cells.  DYES AND PIGMENTS,      [PMID:] [10.1016/j.dyepig.2015.01.022]

6. Shanxin Xiong, Huanyu Tan, Jiaxue Hou, Shengyu Wang, Yukun Zhang, Xicheng Lu, Chunxia Hua, Jia Chu, Ming Gong.  (2025)  Infrared Electrochromic Properties Regulation of Poly(thieno[3,2-b]thiophene) Porous Films Prepared by Electrodeposition.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.5c03354]