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CAS 2527-66-4 2-Methyl-1,2-benzothiazol-3(2H)-one molecular structure lightbox
CAS RN: 2527-66-4

2-Methyl-1,2-benzothiazol-3(2H)-one

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250124 100g Out of stock 5-7 business days Inquiry
Batchno.20251226 25g In stock Shanghai Inquiry
Batchno.20250125 5g In stock Shanghai, Shandong, Guangdong Inquiry
  • Product code: SSC-121076
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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: 5g
  • 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 2527-66-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

2527-66-4 / 2-methyl-1,2-benzothiazol-3-one

Standard CAS: 2527-66-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2527-66-4
Multi CAS
No
Molecular Formula
C8H7NOS
Molecular Weight
165.210000
Exact Mass
165.024835
InChI
InChI=1S/C8H7NOS/c1-9-8(10)6-4-2-3-5-7(6)11-9/h2-5H,1H3
InChIKey
RDWXSJCICPOOKO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
3
Molar refractivity
47.07
TPSA
22

LogP / Solubility

WLOGP
1.6
MLOGP
1.4
XLogP3
1.5
Consensus LogP
1.5
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.06
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.59

Drug-likeness / Medicinal Chemistry

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

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