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CAS 3811-73-2 2-Mercaptopyridine N-Oxide Sodium Salt (40% in Water, ca. 3.3mol/L) molecular structure lightbox
CAS RN: 3811-73-2

2-Mercaptopyridine N-Oxide Sodium Salt (40% in Water, ca. 3.3mol/L)

  • Product code: SSC-145616
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 25g, 100g, 500g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 3811-73-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >97% 5 In Stock Shanghai Inquiry
100g >97% 5 In Stock Hong Kong Inquiry
500g >97% 0 Out of Stock Shenzhen Inquiry

3811-73-2 / sodium 1-oxidopyridin-1-ium-2-thiolate

Standard CAS: 3811-73-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3811-73-2
Multi CAS
Yes
Molecular Formula
C5H4NNAOS
Molecular Weight
149.150000
Exact Mass
148.991129
InChI
InChI=1S/C5H5NOS.Na/c7-6-4-2-1-3-5(6)8;/h1-4,8H;/q;+1/p-1
InChIKey
WNGMMIYXPIAYOB-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
2
Molar refractivity
31.03
TPSA
26.94

LogP / Solubility

WLOGP
-2.77
MLOGP
-2.44
XLogP3
-2.77
Consensus LogP
-2.66
Log S (ESOL)
0.49
Class (ESOL)
Highly soluble
Log S (Ali)
1.22
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.67
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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