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CAS 40279-32-1 ethyl 2-(methylthio)-1,3-thiazole-4-carboxylate molecular structure lightbox
CAS RN: 40279-32-1

ethyl 2-(methylthio)-1,3-thiazole-4-carboxylate

  • Product code: SSC-148378
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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 40279-32-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

40279-32-1 / ethyl 2-methylsulfanyl-1,3-thiazole-4-carboxylate

Standard CAS: 40279-32-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
40279-32-1
Multi CAS
No
Molecular Formula
C7H9NO2S2
Molecular Weight
203.300000
Exact Mass
203.007471
InChI
InChI=1S/C7H9NO2S2/c1-3-10-6(9)5-4-12-7(8-5)11-2/h4H,3H2,1-2H3
InChIKey
CTQNPBGNKPCYSR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
49.85
TPSA
39.19

LogP / Solubility

WLOGP
2.04
MLOGP
1.8
XLogP3
2.4
Consensus LogP
2.08
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.04
Class (SILICOS-IT)
Poorly 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)
-2.51

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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