CAS RN: 847547-16-4
Thiazole, 2-iodo-5-Methyl-
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.20250525 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS847547-16-4
- Purity/Analytical Methods: >99.0%
847547-16-4 / 2-iodo-5-methyl-1,3-thiazole
Basic Information
CAS
847547-16-4
Multi CAS
No
Molecular Formula
C4H4InS
Molecular Weight
225.050000
Exact Mass
224.910920
InChI
InChI=1S/C4H4INS/c1-3-2-6-4(5)7-3/h2H,1H3
InChIKey
HUSIZGWEEAVFKT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Aromatic heavy atom count
5
Fraction Csp3
0.25
H-bond acceptors
2
Molar refractivity
39.57
TPSA
12.89
LogP / Solubility
WLOGP
2.06
MLOGP
1.81
XLogP3
2
Consensus LogP
1.96
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.63
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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