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CAS 26542-16-5 2-(Tert-Butyl)Isothiazol-3(2H)-One molecular structure lightbox
CAS RN: 26542-16-5

2-(Tert-Butyl)Isothiazol-3(2H)-One

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260212 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-124517
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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 26542-16-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

26542-16-5 / 2-tert-butyl-1,2-thiazol-3-one

Standard CAS: 26542-16-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26542-16-5
Multi CAS
No
Molecular Formula
C7H11NOS
Molecular Weight
157.240000
Exact Mass
157.056135
SMILES
CC(C)(C)N1C(=O)C=CS1
InChI
InChI=1S/C7H11NOS/c1-7(2,3)8-6(9)4-5-10-8/h4-5H,1-3H3
InChIKey
ODQNPFWWAYSDOI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
43.58
TPSA
22

LogP / Solubility

WLOGP
1.66
MLOGP
1.46
XLogP3
1
Consensus LogP
1.37
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.05
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
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.5

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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