CAS RN: 288-16-4
Isothiazole
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260615 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260630 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260219 | 250mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20260623 | 25g | Out of stock | Inquiry | |
| Batchno.20260106 | 5g | In stock | Shanghai, Shenzhen, Chengdu | Inquiry |
- Product code: ICTI0982
- Purity/Analytical Methods: >98.0%(GC)
288-16-4 / 1,2-thiazole
Basic Information
CAS
288-16-4
Multi CAS
No
Molecular Formula
C3H3NS
Molecular Weight
85.130000
Exact Mass
84.998620
InChI
InChI=1S/C3H3NS/c1-2-4-5-3-1/h1-3H
InChIKey
ZLTPDFXIESTBQG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
5
Aromatic heavy atom count
5
H-bond acceptors
2
Molar refractivity
22.11
TPSA
12.89
LogP / Solubility
WLOGP
1.14
MLOGP
0.99
XLogP3
1
Consensus LogP
1.04
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-1.08
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.16
Class (SILICOS-IT)
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)
-2.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1
