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CAS 22731-83-5 sulfoniMidoyldibenzene molecular structure lightbox
CAS RN: 22731-83-5

sulfoniMidoyldibenzene

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260121 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-110827
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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 22731-83-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

22731-83-5 / imino-oxo-diphenyl-lambda6-sulfane

Standard CAS: 22731-83-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22731-83-5
Multi CAS
No
Molecular Formula
C12H11NOS
Molecular Weight
217.290000
Exact Mass
217.056135
SMILES
C1=CC=C(C=C1)S(=N)(=O)C2=CC=CC=C2
InChI
InChI=1S/C12H11NOS/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H
InChIKey
KNPJTNDEHOFWKA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.28
TPSA
40.92

LogP / Solubility

WLOGP
3.15
MLOGP
2.78
XLogP3
3.7
Consensus LogP
3.21
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
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)
-1.81

Drug-likeness / Medicinal Chemistry

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

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