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CAS 43040-02-4 1-(2-methylthiazol-5-yl)ethanone molecular structure lightbox
CAS RN: 43040-02-4

1-(2-methylthiazol-5-yl)ethanone

  • Product code: SSC-151347
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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: ＞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 43040-02-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

43040-02-4 / 1-(2-methyl-1,3-thiazol-5-yl)ethanone

Standard CAS: 43040-02-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
43040-02-4
Multi CAS
No
Molecular Formula
C6H7NOS
Molecular Weight
141.190000
Exact Mass
141.024835
InChI
InChI=1S/C6H7NOS/c1-4(8)6-3-7-5(2)9-6/h3H,1-2H3
InChIKey
ANUKYNIYGCGGNK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
36.86
TPSA
29.96

LogP / Solubility

WLOGP
1.65
MLOGP
1.45
XLogP3
1.4
Consensus LogP
1.5
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.07
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)
-2.41

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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