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CAS 331717-63-6 1-Ethyl-3-methylimidazolium Thiocyanate molecular structure lightbox
CAS RN: 331717-63-6

1-Ethyl-3-methylimidazolium Thiocyanate

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250309 100g In stock Shanghai Inquiry
Batchno.20250516 25g In stock Shanghai, Chengdu Inquiry
Batchno.20251203 5g In stock Shanghai Inquiry
  • Product code: SSC-139085
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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: 25g
  • 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 331717-63-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Shenzhen Inquiry

331717-63-6 / 1-ethyl-3-methylimidazol-3-ium thiocyanate

Standard CAS: 331717-63-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
331717-63-6
Multi CAS
Yes
Molecular Formula
C7H11N3S
Molecular Weight
169.250000
Exact Mass
169.067369
InChI
InChI=1S/C6H11N2.CHNS/c1-3-8-5-4-7(2)6-8;2-1-3/h4-6H,3H2,1-2H3;3H/q+1;/p-1
InChIKey
VASPYXGQVWPGAB-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
44.26
TPSA
32.6

LogP / Solubility

WLOGP
0.35
MLOGP
0.3
XLogP3
0.35
Consensus LogP
0.33
Log S (ESOL)
-1.38
Class (ESOL)
Soluble
Log S (Ali)
-1.2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.17
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)
-3.51

Drug-likeness / Medicinal Chemistry

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

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