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CAS 5930-71-2 tetramethyl thioperoxydiphosphate molecular structure lightbox
CAS RN: 5930-71-2

tetramethyl thioperoxydiphosphate

  • Product code: SSC-167723
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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 5930-71-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

5930-71-2 / [methoxy(methylperoxy)phosphinothioyl] dimethyl phosphate

Standard CAS: 5930-71-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5930-71-2
Multi CAS
Yes
Molecular Formula
C4H12O7P2S
Molecular Weight
266.150000
Exact Mass
265.977898
InChI
InChI=1S/C4H12O4P2S4/c1-5-9(11,6-2)13-14-10(12,7-3)8-4/h1-4H3
InChIKey
HUTQNWSTEVZUML-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
8
Molar refractivity
52.1
TPSA
72.45

LogP / Solubility

WLOGP
1.85
MLOGP
1.64
XLogP3
0.7
Consensus LogP
1.4
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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