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CAS 96989-50-3 O,O’-Di-2-pyridyl Thiocarbonate molecular structure lightbox
CAS RN: 96989-50-3

O,O’-Di-2-pyridyl Thiocarbonate

  • Product code: SSC-212151
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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 96989-50-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

96989-50-3 / dipyridin-2-yloxymethanethione

Standard CAS: 96989-50-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
96989-50-3
Multi CAS
Yes
Molecular Formula
C11H8N2O2S
Molecular Weight
232.260000
Exact Mass
232.030649
InChI
InChI=1S/C11H8N2O2S/c16-11(14-9-5-1-3-7-12-9)15-10-6-2-4-8-13-10/h1-8H
InChIKey
IKYOVSVBLHGFMA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
62.33
TPSA
44.24

LogP / Solubility

WLOGP
2.22
MLOGP
1.96
XLogP3
2.8
Consensus LogP
2.33
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.25
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56

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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