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CAS 21948-75-4 2-(Methylsulfinyl)pyridine molecular structure lightbox
CAS RN: 21948-75-4

2-(Methylsulfinyl)pyridine

  • Product code: SSC-105555
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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: ≥97%
  • 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 21948-75-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

21948-75-4 / 2-methylsulfinylpyridine

Standard CAS: 21948-75-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21948-75-4
Multi CAS
No
Molecular Formula
C6H7NOS
Molecular Weight
141.190000
Exact Mass
141.024835
SMILES
CS(=O)C1=CC=CC=N1
InChI
InChI=1S/C6H7NOS/c1-9(8)6-4-2-3-5-7-6/h2-5H,1H3
InChIKey
UWYSBYGJIUSXBJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
36.57
TPSA
29.96

LogP / Solubility

WLOGP
0.82
MLOGP
0.71
XLogP3
0.3
Consensus LogP
0.61
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-1.31
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.38
Class (SILICOS-IT)
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

Drug-likeness / Medicinal Chemistry

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

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