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CAS 66913-97-1 2-(methylsulphonyl)acetamide molecular structure lightbox
CAS RN: 66913-97-1

2-(methylsulphonyl)acetamide

  • Product code: SSC-176584
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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 66913-97-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

66913-97-1 / 2-methylsulfonylacetamide

Standard CAS: 66913-97-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
66913-97-1
Multi CAS
Yes
Molecular Formula
C3H7NO3S
Molecular Weight
137.160000
Exact Mass
137.014664
InChI
InChI=1S/C3H7NO3S/c1-8(6,7)2-3(4)5/h2H2,1H3,(H2,4,5)
InChIKey
ZBLUAVADFAWYLL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
28.91
TPSA
77.23

LogP / Solubility

WLOGP
-1.48
MLOGP
-1.31
XLogP3
-1.5
Consensus LogP
-1.43
Log S (ESOL)
0.38
Class (ESOL)
Highly soluble
Log S (Ali)
0.39
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.44
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.61

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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