Dipentamethylenethiuram Tetrasulfide - ≥98% , CAS No.120-54-7

CAS: 120-54-7 Cat. No.: D302618 Peso molecular: 384.69 Número EC: 204-406-0

GRADE & PURITY ≥98%

Synonyms

Dipentamethylenethiuram tetrasulfide ('so called' vulcaniZation accelerator) | VNDRMZTXEFFQDR-UHFFFAOYSA- | AS-67746 | Thiuram tetrasulfide, bis(piperidinothiocarbonyl) | Nocceler TRA | Tetrasulfide, bis(pentamethylenethiuram)- | HY-145497 | Bis(pentameth

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Sinónimos

Dipentamethylenethiuram tetrasulfide ('so called' vulcaniZation accelerator) | VNDRMZTXEFFQDR-UHFFFAOYSA- | AS-67746 | Thiuram tetrasulfide, bis(piperidinothiocarbonyl) | Nocceler TRA | Tetrasulfide, bis(pentamethylenethiuram)- | HY-145497 | Bis(pentameth

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Desiccated

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488183435
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183435
• Sonrisas canónicas: C1CCN(CC1)C(=S)SSSSC(=S)N2CCCCC2
• IUPAC Name: (piperidine-1-carbothioyltrisulfanyl) piperidine-1-carbodithioate
• InChIKey: VNDRMZTXEFFQDR-UHFFFAOYSA-N
• INCHI: 1S/C12H20N2S6/c15-11(13-7-3-1-4-8-13)17-19-20-18-12(16)14-9-5-2-6-10-14/h1-10H2
• Isómeros SMILES: C1CCN(CC1)C(=S)SSSSC(=S)N2CCCCC2
• Peso molecular: 384.69
• Reaxy-Rn: 298051
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=298051&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Piperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Piperidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidines
• Alternative Parents: Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidine - Azacycle - Sulfenyl compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.
• 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: Insoluble in water, slightly soluble in methanol, benzene, toluene, acetone
• Punto de inflamación (°C): 262.3ºC
• Punto de ebullición (°C): 510.1ºC
• Punto de fusión (°C): 120℃
• Peso molecular: 384.700 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 383.995 Da
• Monoisotopic Mass: 383.995 Da
• Topological Polar Surface Area: 172.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 294.000
• 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. Kun-Lang Lu, Xian-Yong Wei, Fa-Zhan Mao, Zhi-Juan Zhu, Zhuang Li, Fan Yin, Jia-Hao Li, Zhi-Min Zong.  (2022)  Biomass-derived nitrogen and sulfur co-doped sheet-like porous carbon for high-performance supercapacitors.  NEW JOURNAL OF CHEMISTRY,  47  (3): (1247-1255).  [PMID:] [10.1039/D2NJ05366G]