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

CAS: 120-54-7 Cat. No.: D302618 Molecular Weight: 384.69 EC Number: 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

Synonyms

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

Specifications & Purity

≥98%

Storage

Room temperature, Desiccated

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488183435
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183435
• Canonical Smiles: 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
• Isomeric SMILES: C1CCN(CC1)C(=S)SSSSC(=S)N2CCCCC2
• Molecular Weight: 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
    • Class Piperidines

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

Chemical and Physical Properties

• Solubility: Insoluble in water, slightly soluble in methanol, benzene, toluene, acetone
• Flash Point(°C): 262.3ºC
• Boil Point(°C): 510.1ºC
• Melt Point(°C): 120℃
• Molecular Weight: 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

References

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]