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CAS 1774-47-6 Trimethylsulfoxonium Iodide molecular structure lightbox
CAS RN: 1774-47-6

Trimethylsulfoxonium Iodide

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260329 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250204 1kg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250925 500g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: SSC-077553
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 100g, 25g, 1000g, 500g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1774-47-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g >97% 5 In Stock Shanghai Inquiry
25g >97% 4 In Stock Hong Kong Inquiry
1000g >97% 3 In Stock Shanghai Inquiry
500g >97% 2 In Stock Beijing Inquiry

1774-47-6 / Trimethylsulfoxonium Iodide

Standard CAS: 1774-47-6 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1774-47-6
Multi CAS
No
Molecular Formula
C3H9IOS
Molecular Weight
220.070000
Exact Mass
219.941880
SMILES
C[S+](=O)(C)C.[I-]
InChI
InChI=1S/C3H9OS.HI/c1-5(2,3)4;/h1-3H3;1H/q+1;/p-1
InChIKey
BPLKQGGAXWRFOE-UHFFFAOYSA-M

Physical Properties

Physical Description
Yellow crystalline powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
H-bond acceptors
1
Molar refractivity
25.82
TPSA
17.07

LogP / Solubility

WLOGP
-2.62
MLOGP
-2.3
XLogP3
-2.62
Consensus LogP
-2.51
Log S (ESOL)
0.45
Class (ESOL)
Highly soluble
Log S (Ali)
0.53
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.08
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)
-5.92

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

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H303 (17%): May be harmful if swallowed [Warning Acute toxicity, oral] H315 (61.7%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (63.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H320 (17%): Causes eye irritation [Warning Serious eye damage/eye irritation] H335 (57.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501

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