![CAS 654070-00-5 6-iodobenzo[d]thiazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/654070-00-5.gif)
CAS RN: 654070-00-5
6-iodobenzo[d]thiazole
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250706 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS654070-00-5
- Purity/Analytical Methods: >99.0%
654070-00-5 / 6-iodo-1,3-benzothiazole
Basic Information
CAS
654070-00-5
Multi CAS
No
Molecular Formula
C7H4InS
Molecular Weight
261.080000
Exact Mass
260.910920
InChI
InChI=1S/C7H4INS/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H
InChIKey
NICZKYFUJVAZLV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
2
Molar refractivity
52.34
TPSA
12.89
LogP / Solubility
WLOGP
2.9
MLOGP
2.56
XLogP3
2.7
Consensus LogP
2.72
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
Class (SILICOS-IT)
Poorly 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)
-2.25
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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