CAS RN: 260370-55-6
5-Chloro-2-Isopropylisothiazol-3(2H)-One
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.20260527 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS260370-55-6
- Purity/Analytical Methods: >99.0%
260370-55-6 / 5-chloro-2-propan-2-yl-1,2-thiazol-3-one
Basic Information
CAS
260370-55-6
Multi CAS
No
Molecular Formula
C6H8ClNOS
Molecular Weight
177.650000
Exact Mass
177.001513
SMILES
CC(C)N1C(=O)C=C(S1)Cl
InChI
InChI=1S/C6H8ClNOS/c1-4(2)8-6(9)3-5(7)10-8/h3-4H,1-2H3
InChIKey
PZDFSQVFKYPVDV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
43.97
TPSA
22
LogP / Solubility
WLOGP
2.14
MLOGP
1.88
XLogP3
1.7
Consensus LogP
1.91
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
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)
-2.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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