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CAS 412009-61-1 1-Ethyl-3-methylimidazolium Hydrogen Sulfate molecular structure lightbox
CAS RN: 412009-61-1

1-Ethyl-3-methylimidazolium Hydrogen Sulfate

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250729 100g Out of stock Inquiry
Batchno.20251121 25g In stock Inquiry
Batchno.20251127 500g In stock Inquiry
Batchno.20260325 5g In stock Inquiry
  • Product code: SSC-149594
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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: 10g
  • 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 412009-61-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Shenzhen Inquiry

412009-61-1 / 1-ethyl-3-methylimidazol-3-ium;hydrogen sulfate

Standard CAS: 412009-61-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
412009-61-1
Multi CAS
Yes
Molecular Formula
C6H12N2O4S
Molecular Weight
208.240000
Exact Mass
208.051778
InChI
InChI=1S/C6H11N2.H2O4S/c1-3-8-5-4-7(2)6-8;1-5(2,3)4/h4-6H,3H2,1-2H3;(H2,1,2,3,4)/q+1;/p-1
InChIKey
HZKDSQCZNUUQIF-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
43.61
TPSA
86.24

LogP / Solubility

WLOGP
-0.66
MLOGP
-0.58
XLogP3
-0.66
Consensus LogP
-0.63
Log S (ESOL)
-0.93
Class (ESOL)
Very soluble
Log S (Ali)
-0.79
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.58
Class (SILICOS-IT)
Very 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)
-4.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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