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CAS 28984-20-5 Bis(dithiobenzil)nickel(II) molecular structure lightbox
CAS RN: 28984-20-5

Bis(dithiobenzil)nickel(II)

Product Availability

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250525 1g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250508 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: SSC-131080
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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: 1g
  • Available purity: ≥95%
  • 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 28984-20-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

28984-20-5 / bis(1,2-diphenylethane-1,2-dithione);nickel

Standard CAS: 28984-20-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
28984-20-5
Multi CAS
Yes
Molecular Formula
C28H20INS4
Molecular Weight
543.400000
Exact Mass
541.980127
InChI
InChI=1S/2C14H10S2.Ni/c2*15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;/h2*1-10H;
InChIKey
CPYFUJWIAABTQE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
24
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
152.57
TPSA
128.0000

LogP / Solubility

WLOGP
7.64
MLOGP
6.77
XLogP3
7.64
Consensus LogP
7.35
Log S (ESOL)
-8.17
Class (ESOL)
Insoluble
Log S (Ali)
-9.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.26
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.61

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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