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CAS 103261-70-7 5-Benzothiazolecarboxylicacid,ethylester(6CI,9CI) molecular structure lightbox
CAS RN: 103261-70-7

5-Benzothiazolecarboxylicacid,ethylester(6CI,9CI)

Product Availability

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9 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250908 1g Out of stock Inquiry
Batchno.20250105 250mg Out of stock Inquiry
Batchno.20260614 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260203 100g Out of stock Inquiry
Batchno.20251010 100mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260527 1g In stock Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260517 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260213 25g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250804 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-004699
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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, 5g
  • Available purity: ＞97%
  • 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 103261-70-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

103261-70-7 / ethyl 1,3-benzothiazole-5-carboxylate

Ethyl benzo[d]thiazole-5-carboxylate | DTXSID70442418 | Ethyl Benzo(d)thiazole-5-carboxylate

Standard CAS: 103261-70-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
103261-70-7
Multi CAS
No
Molecular Formula
C10H9NO2S
Molecular Weight
207.250000
Exact Mass
207.035400
SMILES
CCOC(=O)C1=CC2=C(C=C1)SC=N2
InChI
InChI=1S/C10H9NO2S/c1-2-13-10(12)7-3-4-9-8(5-7)11-6-14-9/h3-6H,2H2,1H3
InChIKey
ZSBYCGYHRQGYNA-UHFFFAOYSA-N
Synonyms
Ethyl benzo[d]thiazole-5-carboxylate DTXSID70442418 Ethyl Benzo(d)thiazole-5-carboxylate RefChem:596126 DTXCID70393239

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
55.58
TPSA
39.19

LogP / Solubility

WLOGP
2.47
MLOGP
2.18
XLogP3
2.6
Consensus LogP
2.42
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.3
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)
-2.23

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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