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[ CAS No. 56-17-7 ] {[proInfo.proName]}

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Chemical Structure| 56-17-7
Chemical Structure| 56-17-7
Structure of 56-17-7 * Storage: {[proInfo.prStorage]}

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Product Citations

Product Citations

Charalampos Pronoitis ; Minna Hakkarainen ; Karin Odelius DOI:

Abstract: Conventional thermosets cannot be recycled once they reach their end-of-life creating unavoidable waste. Covalent adaptable networks (CANs) are a promising circular solution as they can be reprocessed by conventional techniques employed for processing thermoplastics. In this work, strong and chemically resistant, long-chain polyamide (PA) CANs were developed by introducing intrinsically reactive disulfides in PA networks. Following a solvent-free strategy and utilizing ethylene brassylate, a renewable cyclic diester, our approach brings together the high strength and chemical resistance of long-chain, crosslinked PAs with the reprocessability of dynamic networks in a sustainable fashion. The structure of the PA CANs was elucidated by X-ray diffraction analysis, and the effect of the disulfides on the thermal, mechanical, viscoelastic and dynamic properties was evaluated. The PA CANs had high gel content (86–98%) and they were reprocessable over three grinding-compression molding cycles, retaining their strength (15–20 MPa), crosslink density and gel content. They exhibited rapid stress relaxation with relaxation times as low as 1.06 s and were healable within 5 min. The long-chain PA CANs are easy to prepare and feature several elements of sustainable materials design, highly valued in plastics’ circular economy.

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Product Details of [ 56-17-7 ]

CAS No. :56-17-7 MDL No. :MFCD00012905
Formula : C4H14Cl2N2S2 Boiling Point : No data available
Linear Structure Formula :(S2((CH2)2NH3)2)Cl2 InChI Key :YUFRRMZSSPQMOS-UHFFFAOYSA-N
M.W : 225.20 Pubchem ID :5941
Synonyms :
Decarboxycystine 2HCl; 2-Aminoethyl disulfide 2HCl; 2,2'-Dithiobisethanamine 2HCl
Chemical Name :2,2'-Disulfanediyldiethanamine dihydrochloride

Calculated chemistry of [ 56-17-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 5
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 55.87
TPSA : 102.64 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -7.23 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 0.63
Log Po/w (WLOGP) : 1.89
Log Po/w (MLOGP) : 0.61
Log Po/w (SILICOS-IT) : 0.01
Consensus Log Po/w : 0.63

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.3
Solubility : 11.2 mg/ml ; 0.0498 mol/l
Class : Very soluble
Log S (Ali) : -2.36
Solubility : 0.982 mg/ml ; 0.00436 mol/l
Class : Soluble
Log S (SILICOS-IT) : -0.99
Solubility : 23.3 mg/ml ; 0.103 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.11

Safety of [ 56-17-7 ]

Signal Word:Warning Class:
Precautionary Statements:P264-P270-P301+P312-P330-P501 UN#:
Hazard Statements:H302 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 56-17-7 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 56-17-7 ]

[ 56-17-7 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 56-17-7 ]
  • [ 66176-17-8 ]
  • Bis<2-(2-amino-3-methyl-benzoylamino)ethyl>disulfan [ No CAS ]
  • 2
  • [ 55589-47-4 ]
  • [ 56-17-7 ]
  • di-2-(bis((6-methyl-2-pyridyl)methyl)amino)ethyl disulfide [ No CAS ]
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