CAS RN: 40210-84-2
Tetrathiafulvalene – 7,7,8,8-Tetracyanoquinodimethane Complex
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-148289
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
40210-84-2 / 2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile;2-(1,3-dithiol-2-ylidene)-1,3-dithiole
Basic Information
CAS
40210-84-2
Multi CAS
No
Molecular Formula
C18H8N4S4
Molecular Weight
408.600000
Exact Mass
407.963181
InChI
InChI=1S/C12H4N4.C6H4S4/c13-5-11(6-14)9-1-2-10(4-3-9)12(7-15)8-16;1-2-8-5(7-1)6-9-3-4-10-6/h1-4H;1-4H
InChIKey
OIXMVDHMELKBDX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
6
H-bond acceptors
8
Molar refractivity
110.63
TPSA
95.16
LogP / Solubility
WLOGP
4.1
MLOGP
3.63
XLogP3
4.1
Consensus LogP
3.94
Log S (ESOL)
-5.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.72
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
