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CAS 96131-57-6 Tetrabutylphosphonium O,O-Diethyl Phosphorodithioate molecular structure lightbox
CAS RN: 96131-57-6

Tetrabutylphosphonium O,O-Diethyl Phosphorodithioate

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250731 25g In stock Shanghai Inquiry
Batchno.20251009 5g In stock Shanghai, Shandong Inquiry
  • Product code: SSC-211906
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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: ≥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 96131-57-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

96131-57-6 / diethoxy-sulfanylidene-sulfido-lambda5-phosphane;tetrabutylphosphanium

Standard CAS: 96131-57-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
96131-57-6
Multi CAS
No
Molecular Formula
C20H46O2P2S2
Molecular Weight
444.700000
Exact Mass
444.241447
InChI
InChI=1S/C16H36P.C4H11O2PS2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-3-5-7(8,9)6-4-2/h5-16H2,1-4H3;3-4H2,1-2H3,(H,8,9)/q+1;/p-1
InChIKey
LYMYULOYDUWMOP-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
1
Rotatable bonds
16
H-bond acceptors
4
Molar refractivity
130.92
TPSA
18.46

LogP / Solubility

WLOGP
8.04
MLOGP
7.1
XLogP3
8.04
Consensus LogP
7.73
Log S (ESOL)
-6.6
Class (ESOL)
Insoluble
Log S (Ali)
-9.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.14
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.27

Drug-likeness / Medicinal Chemistry

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

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