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CAS 126213-50-1 3,4-Ethylenedioxythiophene molecular structure lightbox
CAS RN: 126213-50-1

3,4-Ethylenedioxythiophene

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251221 100g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250908 10g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260107 1kg In stock Shanghai, Wuhan Inquiry
Batchno.20260625 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260429 500g In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20251003 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260303 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
  • Product code: SSC-033070
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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: 5g, 10g, 25g, 100g
  • 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 126213-50-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 0 Out of Stock Shenzhen Inquiry
10g >97% 0 Out of Stock Beijing Inquiry
25g >97% 0 Out of Stock Shenzhen Inquiry
100g >97% 0 Out of Stock Hong Kong Inquiry

126213-50-1 / 2,3-dihydrothieno[3,4-b][1,4]dioxine

Standard CAS: 126213-50-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
126213-50-1
Multi CAS
No
Molecular Formula
C6H6O2S
Molecular Weight
142.180000
Exact Mass
142.008851
SMILES
C1COC2=CSC=C2O1
InChI
InChI=1S/C6H6O2S/c1-2-8-6-4-9-3-5(6)7-1/h3-4H,1-2H2
InChIKey
GKWLILHTTGWKLQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.33
H-bond acceptors
3
Molar refractivity
35.31
TPSA
18.46

LogP / Solubility

WLOGP
1.52
MLOGP
1.33
XLogP3
1.3
Consensus LogP
1.38
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
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)
-2.51

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H311 (74.1%): Toxic in contact with skin [Danger Acute toxicity, dermal] H312 (24.1%): Harmful in contact with skin [Warning Acute toxicity, dermal] H319 (75.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H412 (25.9%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P262, P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P316, P317, P321, P330, P337+P317, P361+P364, P362+P364, P405, and P501 P262, P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P316, P321, P330, P337+P317, P361+P364, P405, and P501

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