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CAS 361161-73-1 2-Propanone, 1-(2-thiazolyl)- (9CI) molecular structure lightbox
CAS RN: 361161-73-1

2-Propanone, 1-(2-thiazolyl)- (9CI)

  • Product code: SSC-143236
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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: 0.05g, 0.1g, 0.25g, 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 361161-73-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g ≥95% 0 Out of Stock Shanghai Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

361161-73-1 / 1-(1,3-thiazol-2-yl)propan-2-one

Standard CAS: 361161-73-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
361161-73-1
Multi CAS
No
Molecular Formula
C6H7NOS
Molecular Weight
141.190000
Exact Mass
141.024835
InChI
InChI=1S/C6H7NOS/c1-5(8)4-6-7-2-3-9-6/h2-3H,4H2,1H3
InChIKey
PLFXOSWXFMGIBN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
36.5
TPSA
29.96

LogP / Solubility

WLOGP
1.27
MLOGP
1.11
XLogP3
0.6
Consensus LogP
0.99
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.88
Class (SILICOS-IT)
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)
-2.68

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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