CAS RN: 105404-91-9
2,8-Diiododibenzothiophene
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock2 grade groups
- Product code: SSC-007160
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: 0.25g, 5g, 10g, 25g, 1g
- Available purity: ≥95%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 5 In Stock | Shanghai | Inquiry |
| 5g | ≥95% | 5 In Stock | Beijing | Inquiry |
| 10g | ≥95% | 5 In Stock | Shenzhen | Inquiry |
| 25g | ≥95% | 5 In Stock | Shenzhen | Inquiry |
| 1g | ≥95% | 2 In Stock | Shanghai | Inquiry |
105404-91-9 / 2,8-diiododibenzothiophene
2,8-Diiododibenzothiophene | MFCD00275724 | 2,8-Diiododibenzo-thiophene
Basic Information
CAS
105404-91-9
Multi CAS
No
Molecular Formula
C12H6I2S
Molecular Weight
436.050000
Exact Mass
435.827970
SMILES
C1=CC2=C(C=C1I)C3=C(S2)C=CC(=C3)I
InChI
InChI=1S/C12H6I2S/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6H
InChIKey
JUMCSMONVKDUIB-UHFFFAOYSA-N
Synonyms
2,8-Diiododibenzothiophene
MFCD00275724
2,8-Diiododibenzo-thiophene
C12H6I2S
SCHEMBL13783207
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
13
H-bond acceptors
1
Molar refractivity
84.77
TPSA
28.2000
LogP / Solubility
WLOGP
5.26
MLOGP
4.66
XLogP3
5.6
Consensus LogP
5.17
Log S (ESOL)
-6.5
Class (ESOL)
Insoluble
Log S (Ali)
-6.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.86
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-1.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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