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CAS 2393-98-8 Methylenebis(4-bromophenyl sulfide) molecular structure lightbox
CAS RN: 2393-98-8

Methylenebis(4-bromophenyl sulfide)

  • Product code: SSC-116863
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 4
  • 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 2393-98-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 5 In Stock Shanghai Inquiry
0.25g ≥97% 5 In Stock Beijing Inquiry
1g ≥97% 5 In Stock Hong Kong Inquiry
5g ≥97% 5 In Stock Shenzhen Inquiry

2393-98-8 / 1-bromo-4-[(4-bromophenyl)sulfanylmethylsulfanyl]benzene

Standard CAS: 2393-98-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2393-98-8
Multi CAS
No
Molecular Formula
C13H10Br2S2
Molecular Weight
390.200000
Exact Mass
389.857020
SMILES
C1=CC(=CC=C1SCSC2=CC=C(C=C2)Br)Br
InChI
InChI=1S/C13H10Br2S2/c14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13/h1-8H,9H2
InChIKey
HUJOYDYIHXFLAW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
84.87
TPSA
50.6000

LogP / Solubility

WLOGP
6.05
MLOGP
5.35
XLogP3
6.1
Consensus LogP
5.83
Log S (ESOL)
-6.33
Class (ESOL)
Insoluble
Log S (Ali)
-7.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.7
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)
-0.8

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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