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CAS 1866-16-6 Butyrylthiocholine Iodide molecular structure lightbox
CAS RN: 1866-16-6

Butyrylthiocholine Iodide

Product Availability

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260531 100g In stock Shanghai Inquiry
Batchno.20250326 10g In stock Shanghai, Shenzhen Inquiry
Batchno.20260120 1g In stock Shanghai Inquiry
Batchno.20260307 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Chongqing Inquiry
Batchno.20260206 25g In stock Shanghai Inquiry
Batchno.20250614 5g In stock Shanghai Inquiry
  • Product code: SSC-086717
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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 1866-16-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shenzhen Inquiry

1866-16-6 / 2-butanoylsulfanylethyl(trimethyl)azanium iodide

Standard CAS: 1866-16-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1866-16-6
Multi CAS
No
Molecular Formula
C9H20INOS
Molecular Weight
317.230000
Exact Mass
317.031030
SMILES
CCCC(=O)SCC[N+](C)(C)C.[I-]
InChI
InChI=1S/C9H20NOS.HI/c1-5-6-9(11)12-8-7-10(2,3)4;/h5-8H2,1-4H3;1H/q+1;/p-1
InChIKey
WEQAAFZDJROSBF-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
55.27
TPSA
17.07

LogP / Solubility

WLOGP
-1.24
MLOGP
-1.08
XLogP3
-1.24
Consensus LogP
-1.19
Log S (ESOL)
-0.69
Class (ESOL)
Very soluble
Log S (Ali)
-1.26
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.29
Class (SILICOS-IT)
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)
-5.54

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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