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CAS 326-45-4 2-Amino-6-(trifluoro-methylsufanyl)benzothiazole molecular structure lightbox
CAS RN: 326-45-4

2-Amino-6-(trifluoro-methylsufanyl)benzothiazole

Product Availability

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251215 100mg In stock Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250516 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20251101 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250730 250mg In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251031 5g Out of stock Inquiry
  • Product code: starshine_CAS326-45-4
  • Purity/Analytical Methods: >99.0%
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326-45-4 / 6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine

Standard CAS: 326-45-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
326-45-4
Multi CAS
No
Molecular Formula
C8F3H5N2S2
Molecular Weight
250.300000
Exact Mass
249.984625
InChI
InChI=1S/C8H5F3N2S2/c9-8(10,11)15-4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13)
InChIKey
PBRVVEXJMLEKMJ-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
4
H-bond donors
1
Molar refractivity
55.94
TPSA
38.91

LogP / Solubility

WLOGP
3.49
MLOGP
3.08
XLogP3
3.8
Consensus LogP
3.46
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.3
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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