Dipentamethylenethiuram tetrasulfide

• CAS: 120-54-7
• Catalog Number: ACM120547-2
• Category: Other Products
• Molecular Weight: 384.7
• Molecular Formula: C12H20N2S6
• Description: OtherSolid
• Synonyms: Bis(pentamethylene)thiuram tetrasulfide
• IUPAC Name: (Piperidine-1-carbothioyltrisulfanyl) piperidine-1-carbodithioate
• Canonical SMILES: C1CCN(CC1)C(=S)SSSSC(=S)N2CCCCC2
• InChI: 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
• InChI Key: VNDRMZTXEFFQDR-UHFFFAOYSA-N
• Boiling Point: 510.1±33.0 °C
• Melting Point: 118.0-122.0 °C
• Density: 1.4933 g/cm3
• Complexity: 294
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• EC Number: 204-406-0
• Exact Mass: 383.99507569
• Formal Charge: 0
• H-Bond Acceptor: 6
• H-Bond Donor: 0
• Heavy Atom Count: 20
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• LogP: 2.8 (LogP)
• Monoisotopic Mass: 383.99507569
• NSC Number: 4823
• Physical State: Powder
• Rotatable Bond Count: 5
• RTECS Number: TN4221000
• Topological Polar Surface Area: 172 Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• UNII: YX3WH7S23F
• XLogP3: 4.3