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CAS 13681-87-3 Copper(II) Diethyldithiocarbamate molecular structure lightbox
CAS RN: 13681-87-3

Copper(II) Diethyldithiocarbamate

Product Availability

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4 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260616 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250308 1g Out of stock Inquiry
Batchno.20260217 25g Out of stock Inquiry
Batchno.20251005 5g Out of stock Inquiry
  • Product code: SSC-045893
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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: 10g
  • Available purity: ＞97%
  • 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 13681-87-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Beijing Inquiry

13681-87-3 / copper bis(N,N-diethylcarbamodithioate)

Standard CAS: 13681-87-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13681-87-3
Multi CAS
No
Molecular Formula
C10H20CuN2S4
Molecular Weight
360.100000
Exact Mass
358.980530
SMILES
CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].[Cu+2]
InChI
InChI=1S/2C5H11NS2.Cu/c2*1-3-6(4-2)5(7)8;/h2*3-4H2,1-2H3,(H,7,8);/q;;+2/p-2
InChIKey
OBBCYCYCTJQCCK-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.8
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
85.77
TPSA
6.48

LogP / Solubility

WLOGP
2.32
MLOGP
2.06
XLogP3
2.32
Consensus LogP
2.23
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.4
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.27

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
1.5

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