CAS RN: 1000029-07-1
5-Iodo-2-phenylthiazole
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.20250410 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1000029-07-1
- Purity/Analytical Methods: >99.0%
1000029-07-1 / 5-iodo-2-phenyl-1,3-thiazole
5-Iodo-2-phenylthiazole | 1000029-07-1 | 5-iodo-2-phenyl-1,3-thiazole
Basic Information
CAS
1000029-07-1
Multi CAS
No
Molecular Formula
C9H6INS
Molecular Weight
287.120000
Exact Mass
286.926570
SMILES
C1=CC=C(C=C1)C2=NC=C(S2)I
InChI
InChI=1S/C9H6INS/c10-8-6-11-9(12-8)7-4-2-1-3-5-7/h1-6H
InChIKey
KYBZIVOEYAIDAI-UHFFFAOYSA-N
Synonyms
5-Iodo-2-phenylthiazole
1000029-07-1
5-iodo-2-phenyl-1,3-thiazole
Thiazole, 5-iodo-2-phenyl-
MFCD27996341
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
60.27
TPSA
12.89
LogP / Solubility
WLOGP
3.41
MLOGP
3.02
XLogP3
3.3
Consensus LogP
3.24
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
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)
-2.05
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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