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CAS 131106-70-2 6-TRIFLUOROMETHYLBENZOTHIAZOLE molecular structure lightbox
CAS RN: 131106-70-2

6-TRIFLUOROMETHYLBENZOTHIAZOLE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251121 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 15 business days Inquiry
  • Product code: SSC-037780
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 131106-70-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

131106-70-2 / 6-(trifluoromethyl)-1,3-benzothiazole

Standard CAS: 131106-70-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
131106-70-2
Multi CAS
No
Molecular Formula
C8H4F3NS
Molecular Weight
203.190000
Exact Mass
203.001655
SMILES
C1=CC2=C(C=C1C(F)(F)F)SC=N2
InChI
InChI=1S/C8H4F3NS/c9-8(10,11)5-1-2-6-7(3-5)13-4-12-6/h1-4H
InChIKey
BULNNISVPSQIFO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
2
Molar refractivity
44.62
TPSA
12.89

LogP / Solubility

WLOGP
3.32
MLOGP
2.92
XLogP3
2.9
Consensus LogP
3.05
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.61

Drug-likeness / Medicinal Chemistry

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

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