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CAS 4388-22-1 Bis(phenylsulfonyl) Sulfide molecular structure lightbox
CAS RN: 4388-22-1

Bis(phenylsulfonyl) Sulfide

  • Product code: SSC-151953
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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 4388-22-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

4388-22-1 / benzenesulfonylsulfanylsulfonylbenzene

Standard CAS: 4388-22-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4388-22-1
Multi CAS
Yes
Molecular Formula
C12H10O4S3
Molecular Weight
314.400000
Exact Mass
313.974122
InChI
InChI=1S/C12H10O4S3/c13-18(14,11-7-3-1-4-8-11)17-19(15,16)12-9-5-2-6-10-12/h1-10H
InChIKey
YQUSJUJNDKUWAM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
74.85
TPSA
68.28

LogP / Solubility

WLOGP
2.5
MLOGP
2.21
XLogP3
2.7
Consensus LogP
2.47
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.94
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.26
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.86

Drug-likeness / Medicinal Chemistry

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

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