![CAS 155559-82-3 5-(Trifluoromethoxy)benzo[d]thiazole-2-thiol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/155559-82-3.gif)
CAS RN: 155559-82-3
5-(Trifluoromethoxy)benzo[d]thiazole-2-thiol
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251102 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS155559-82-3
- Purity/Analytical Methods: >99.0%
155559-82-3 / 5-(trifluoromethoxy)-3H-1,3-benzothiazole-2-thione
Basic Information
CAS
155559-82-3
Multi CAS
No
Molecular Formula
C8H4F3NOS2
Molecular Weight
251.300000
Exact Mass
250.968641
SMILES
C1=CC2=C(C=C1OC(F)(F)F)NC(=S)S2
InChI
InChI=1S/C8H4F3NOS2/c9-8(10,11)13-4-1-2-6-5(3-4)12-7(14)15-6/h1-3H,(H,12,14)
InChIKey
FDHNATDQODTQBI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.69
TPSA
25.02
LogP / Solubility
WLOGP
3.86
MLOGP
3.4
XLogP3
3.6
Consensus LogP
3.62
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.61
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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