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CAS 7333-08-6 1,2-di-3-Thienyl-1,2-ethanedione molecular structure lightbox
CAS RN: 7333-08-6

1,2-di-3-Thienyl-1,2-ethanedione

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250615 1g In stock Inquiry
Batchno.20260515 250mg In stock Inquiry
Batchno.20260502 5g In stock Inquiry
  • Product code: SSC-182798
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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: 1g
  • Available purity: ≥98%
  • 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 7333-08-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shanghai Inquiry

7333-08-6 / 1,2-di(thiophen-3-yl)ethane-1,2-dione

Standard CAS: 7333-08-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
7333-08-6
Multi CAS
No
Molecular Formula
C10H6O2S2
Molecular Weight
222.300000
Exact Mass
221.980922
InChI
InChI=1S/C10H6O2S2/c11-9(7-1-3-13-5-7)10(12)8-2-4-14-6-8/h1-6H
InChIKey
JMJXLGSQHPIURJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
57.3
TPSA
34.14

LogP / Solubility

WLOGP
2.88
MLOGP
2.53
XLogP3
2.3
Consensus LogP
2.57
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.03

Drug-likeness / Medicinal Chemistry

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

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