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CAS 79071-17-3 2-CHLORO-6-ETHOXY-1,3-BENZOTHIAZOLE molecular structure lightbox
CAS RN: 79071-17-3

2-CHLORO-6-ETHOXY-1,3-BENZOTHIAZOLE

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250820 1g In stock Shanghai Inquiry
Batchno.20250516 250mg In stock Shanghai Inquiry
Batchno.20251202 5g In stock Shanghai Inquiry
  • Product code: SSC-188309
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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 79071-17-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

79071-17-3 / 2-chloro-6-ethoxy-1,3-benzothiazole

Standard CAS: 79071-17-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
79071-17-3
Multi CAS
No
Molecular Formula
C9H8CLNOS
Molecular Weight
213.680000
Exact Mass
213.001513
InChI
InChI=1S/C9H8ClNOS/c1-2-12-6-3-4-7-8(5-6)13-9(10)11-7/h3-5H,2H2,1H3
InChIKey
OJRYLNVGOPEAEP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
55.8
TPSA
22.12

LogP / Solubility

WLOGP
3.35
MLOGP
2.95
XLogP3
4.1
Consensus LogP
3.47
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.65

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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