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

CAS: 251-41-2 Cat. No.: T119992 Molecular Weight: 140.23 Beilstein Registry Number: 19(5)1,429 EC Number: 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

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

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488187841
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187841
• Canonical Smiles: 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
• Isomeric SMILES: C1=CSC2=C1SC=C2
• WGK Germany: 3
• PubChem CID: 136063
• Molecular Weight: 140.23
• Beilstein: 19(5)1,429
• Reaxy-Rn: 110009

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Thienothiophenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Sensitivity: air sensitive
• Boil Point(°C): 71°C
• Melt Point(°C): 56°C
• Molecular Weight: 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

References

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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]