CAS RN: 127024-28-6
5-tert-butyl-3-isothiazolaMine
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.20260409 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS127024-28-6
- Purity/Analytical Methods: >99.0%
127024-28-6 / 5-tert-butyl-1,2-thiazol-3-amine
Basic Information
CAS
127024-28-6
Multi CAS
No
Molecular Formula
C7H12N2S
Molecular Weight
156.250000
Exact Mass
156.072120
SMILES
CC(C)(C)C1=CC(=NS1)N
InChI
InChI=1S/C7H12N2S/c1-7(2,3)5-4-6(8)9-10-5/h4H,1-3H3,(H2,8,9)
InChIKey
WWZIRENXMOAEIP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.23
TPSA
38.91
LogP / Solubility
WLOGP
2.02
MLOGP
1.77
XLogP3
2.3
Consensus LogP
2.03
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
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)
-2.24
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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