1,3-Benzenedithiol - ≥95%(GC) , CAS No.626-04-0

CAS: 626-04-0 Cat. No.: B152749 Peso molecular: 142.23 Beilstein Registry Number: 1634410 Número EC: 210-925-3

GRADE & PURITY ≥95%(GC)

Synonyms

1,3-Benzenedithiol, 99% | AKOS007930322 | AS-57008 | 1,3-Benzedithiol | 1,3-Benzenedithiol, 95% | Benzene-1,3-dithiol | dithioresorcin | B4371 | T71141 | SCHEMBL63173 | 1,3-Dimercaptobenzene | 1,3-Benzenedithiol | MFCD00004842 | dithioresorcinol | FT-0606

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

1, 3-Benzenedithiol, 99% | AKOS007930322 | AS-57008 | 1, 3-Benzedithiol | 1, 3-Benzenedithiol, 95% | Benzene-1, 3-dithiol | dithioresorcin | B4371 | T71141 | SCHEMBL63173 | 1, 3-Dimercaptobenzene | 1, 3-Benzenedithiol | MFCD00004842 | dithioresorcinol | FT-0606

Especificaciones y pureza

≥95%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%(GC)

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=CC(=C1)S)S
• IUPAC Name: benzene-1,3-dithiol
• InChIKey: ZWOASCVFHSYHOB-UHFFFAOYSA-N
• INCHI: 1S/C6H6S2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H
• Isómeros SMILES: C1=CC(=CC(=C1)S)S
• WGK Alemania: 3
• Peso molecular: 142.23
• Beilstein: 1634410
• Reaxy-Rn: 1634412
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1634412&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Thiophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Thiophenols
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiophenols
• Alternative Parents: Benzene and substituted derivatives Thiols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Thiophenol - Monocyclic benzene moiety - Arylthiol - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as thiophenols. These are compounds containing a thiophenol ring, which a phenol derivative obtained by replacing the oxygen atom from the hydroxyl group (attached to the benzene) by a sulfur 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

Propiedades químicas y físicas

• Solubilidad: Miscible with acetonitrile.
• Sensibilidad: Air Sensitive
• Índice de refracción: 1.6625
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113 °C
• Punto de ebullición (°C): 245 °C
• Punto de fusión (°C): 27°C(lit.)
• Peso molecular: 142.200 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 141.991 Da
• Monoisotopic Mass: 141.991 Da
• Topological Polar Surface Area: 2.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 64.900
• 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. Wenzhe Xu, Yang Chen, Ruixu Yang, Yiying Fu, Wanxin Zhuang, Yonggang Wang, Yi Liu, Hao Zhang.  (2023)  “Reaction”-Like Shaping of Self-Delivery Supramolecular Nanodrugs in the Nanoprecipitation Process.  ACS Nano,      [PMID:37668306] [10.1021/acsnano.3c05229]

2. Ziwen Tao, Guotao Yi, Chao Zeng, Qianfen Zhuang, Yong Wang.  (2022)  Ultrasensitive detection of silver(I) ions based on water-soluble micellized phosphorescent silver nanoclusters co-protected by 1,3-benzenedithiol and triphenylphosphine.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2022.132382]

3. Yijie Yang, Shun Yao, Ying Li, Yuanhang Wu, Chang Li, Congshu Hang, Hui Li.  (2025)  Orientation growth modulation of Mo-Doped Ni3S2 heterostructures utilizing Polysulfide as a sulfur source and in-situ intercalation for enhanced electrocatalytic performance.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2025.118946]