Product Name

  • Name

    DIPENTAMETHYLENETHIURAM HEXASULFIDE

  • EINECS 213-537-2
  • CAS No. 971-15-3
  • Density 1.519 g/cm3
  • Solubility 10.48μg/L at 20℃
  • Melting Point 135-136 °C
  • Formula C12H20N2S8
  • Boiling Point 578.444 °C at 760 mmHg
  • Molecular Weight 448.832
  • Flash Point 303.632 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 971-15-3 (DIPENTAMETHYLENETHIURAM HEXASULFIDE)
  • Hazard Symbols
  • Synonyms Hexasulfide,bis(piperidinothiocarbonyl) (8CI);Piperidine,1,1'-(hexathiodicarbonothioyl)bis- (9CI);Dipentamethylenethiuram hexasulfide;Rhenogran DPTT 70;Robac P 25;
  • PSA 222.46000
  • LogP 6.37800

Hexasulfide,bis(1-piperidinylthioxomethyl) Specification

The Hexasulfide,bis(1-piperidinylthioxomethyl) is an organic compound with the formula C12H20N2S8. The IUPAC name of this chemical is (piperidine-1-carbothioylpentasulfanyl) piperidine-1-carbodithioate. With the CAS registry number 971-15-3 and EINECS 213-537-2, it is also named as Bis(piperidinothiocarbonyl) hexasulfide.

The other characteristics of Hexasulfide,bis(1-piperidinylthioxomethyl) can be summarized as: (1)ACD/LogP: 7.57; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.57; (4)ACD/LogD (pH 7.4): 7.57; (5)ACD/BCF (pH 5.5): 332101.44; (6)ACD/BCF (pH 7.4): 332108.72; (7)ACD/KOC (pH 5.5): 311670.88; (8)ACD/KOC (pH 7.4): 311677.72; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Index of Refraction: 1.77; (13)Molar Refractivity: 122.84 cm3; (14)Molar Volume: 295.5 cm3; (15)Polarizability: 48.7×10-24 cm3; (16)Surface Tension: 90.7 dyne/cm; (17)Enthalpy of Vaporization: 86.57 kJ/mol; (18)Vapour Pressure: 2.23E-13 mmHg at 25°C; (19)Rotatable Bond Count: 7; (20)Exact Mass: 447.939214; (21)MonoIsotopic Mass: 447.939214; (22)Topological Polar Surface Area: 223; (23)Heavy Atom Count: 22; (24)Complexity: 321.

People can use the following data to convert to the molecule structure.
1. SMILES:S=C(SSSSSSC(=S)N1CCCCC1)N2CCCCC2
2. InChI:InChI=1/C12H20N2S8/c15-11(13-7-3-1-4-8-13)17-19-21-22-20-18-12(16)14-9-5-2-6-10-14/h1-10H2 
3. InChIKey:HPFHYRNETZEPIV-UHFFFAOYAV
4. Std. InChI:InChI=1S/C12H20N2S8/c15-11(13-7-3-1-4-8-13)17-19-21-22-20-18-12(16)14-9-5-2-6-10-14/h1-10H2 
5. Std. InChIKey:HPFHYRNETZEPIV-UHFFFAOYSA-N

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