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CAS 5335-84-2 BIS(4-BROMOPHENYL)DISULFIDE molecular structure lightbox
CAS RN: 5335-84-2

BIS(4-BROMOPHENYL)DISULFIDE

  • Product code: SSC-160661
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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: 5g
  • 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 5335-84-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

5335-84-2 / 1-bromo-4-[(4-bromophenyl)disulfanyl]benzene

Standard CAS: 5335-84-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5335-84-2
Multi CAS
Yes
Molecular Formula
C12H8BR2S2
Molecular Weight
376.100000
Exact Mass
375.841370
InChI
InChI=1S/C12H8Br2S2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H
InChIKey
VZQVHIINDXJOQK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
80
TPSA
50.6000

LogP / Solubility

WLOGP
6.01
MLOGP
5.31
XLogP3
5.8
Consensus LogP
5.71
Log S (ESOL)
-6.32
Class (ESOL)
Insoluble
Log S (Ali)
-6.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.45
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.75

Drug-likeness / Medicinal Chemistry

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

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