CAS RN: 59089-89-3
4,5-Ethylenedithio-1,3-dithiole-2-thione
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-167476
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
59089-89-3 / 5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiine-2-thione
Basic Information
CAS
59089-89-3
Multi CAS
Yes
Molecular Formula
C5H4S5
Molecular Weight
224.400000
Exact Mass
223.891656
InChI
InChI=1S/C5H4S5/c6-5-9-3-4(10-5)8-2-1-7-3/h1-2H2
InChIKey
LFPIFRGVCYRUEO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.4
H-bond acceptors
5
Molar refractivity
54.48
TPSA
133.0000
LogP / Solubility
WLOGP
3.74
MLOGP
3.29
XLogP3
3.2
Consensus LogP
3.41
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.22
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
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)
-1.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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