![CAS 54420-94-9 6-Iodobenzo[d]thiazole-2-thiol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/54420-94-9.gif)
CAS RN: 54420-94-9
6-Iodobenzo[d]thiazole-2-thiol
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260615 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS54420-94-9
- Purity/Analytical Methods: >99.0%
54420-94-9 / 6-iodo-3H-1,3-benzothiazole-2-thione
Basic Information
CAS
54420-94-9
Multi CAS
Yes
Molecular Formula
C7H4InS2
Molecular Weight
293.200000
Exact Mass
292.882990
InChI
InChI=1S/C7H4INS2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)
InChIKey
IGDQXUDOZWGHCX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.73
TPSA
15.79
LogP / Solubility
WLOGP
3.56
MLOGP
3.15
XLogP3
3.1
Consensus LogP
3.27
Log S (ESOL)
-4.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.52
Class (SILICOS-IT)
Slightly 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)
-1.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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