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CAS 52611-57-1 Copper(II) Bis(2-hydroxyethyl)dithiocarbamate molecular structure lightbox
CAS RN: 52611-57-1

Copper(II) Bis(2-hydroxyethyl)dithiocarbamate

  • Product code: SSC-159736
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 25g
  • Available purity: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 52611-57-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Shanghai Inquiry

52611-57-1 / copper bis(N,N-bis(2-hydroxyethyl)carbamodithioate)

Standard CAS: 52611-57-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
52611-57-1
Multi CAS
Yes
Molecular Formula
C11H20N2O4S4U
Molecular Weight
424.100000
Exact Mass
422.960189
InChI
InChI=1S/2C5H11NO2S2.Cu/c2*7-3-1-6(2-4-8)5(9)10;/h2*7-8H,1-4H2,(H,9,10);/q;;+2/p-2
InChIKey
CWZKOKSQKMDNMW-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.8
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
4
Molar refractivity
91.42
TPSA
87.4

LogP / Solubility

WLOGP
-1.79
MLOGP
-1.55
XLogP3
-1.79
Consensus LogP
-1.71
Log S (ESOL)
-0.81
Class (ESOL)
Very soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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