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CAS 353239-08-4 1-Methylimidazole Bis(trifluoromethanesulfonyl)imide molecular structure lightbox
CAS RN: 353239-08-4

1-Methylimidazole Bis(trifluoromethanesulfonyl)imide

  • Product code: SSC-142290
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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 353239-08-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

353239-08-4 / bis(trifluoromethylsulfonyl)azanide;3-methyl-1H-imidazol-3-ium

Standard CAS: 353239-08-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
353239-08-4
Multi CAS
Yes
Molecular Formula
C6F6H7N3O4S2
Molecular Weight
363.300000
Exact Mass
362.978217
InChI
InChI=1S/C4H6N2.C2F6NO4S2/c1-6-3-2-5-4-6;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h2-4H,1H3;/q;-1/p+1
InChIKey
SDTAXUVLXYGRNE-UHFFFAOYSA-O

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
55.28
TPSA
102.05

LogP / Solubility

WLOGP
0.9
MLOGP
0.81
XLogP3
0.9
Consensus LogP
0.87
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.01
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
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)
-4.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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