![CAS 68449-38-7 Bis(tetrabutylammonium) Bis(1,3-dithiole-2-thione-4,5-dithiolato)zinc Complex [Organic Electronic Material] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b1221-jpgcontextbwfzdgvyfhjvb3r8mzi2nth8aw1hz2uvanblz3xonzevadizlzg5mjg2ndk2mdkyndyvqjeymjeuanbnfdvinwvhzthlm2u2m2jlnduxztixotbjyji1ztjiymqzmtuxmzk5mme0zta2ztqzywi5mmjiowvlnznmmzyxodi.jpeg)
CAS RN: 68449-38-7
Bis(tetrabutylammonium) Bis(1,3-dithiole-2-thione-4,5-dithiolato)zinc Complex [Organic Electronic Material]
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-178185
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
- 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 |
|---|---|---|---|---|
| 5g | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
68449-38-7 / zinc;bis(2-sulfanylidene-1,3-dithiole-4,5-dithiolate);bis(tetrabutylazanium)
Basic Information
CAS
68449-38-7
Multi CAS
Yes
Molecular Formula
C38H72N2S10Zn
Molecular Weight
943.000000
Exact Mass
940.219404
InChI
InChI=1S/2C16H36N.2C3H2S5.Zn/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2*4-1-2(5)8-3(6)7-1;/h2*5-16H2,1-4H3;2*4-5H;/q2*+1;;;+2/p-4
InChIKey
ZBBYMGVOKYWSPO-UHFFFAOYSA-J
Computed Properties
Structural Parameters
Heavy atom count
51
Aromatic heavy atom count
10
Fraction Csp3
0.84
Rotatable bonds
24
H-bond acceptors
10
Molar refractivity
247.3
TPSA
169.0000
LogP / Solubility
WLOGP
14.71
MLOGP
13.03
XLogP3
14.71
Consensus LogP
14.15
Log S (ESOL)
-13.51
Class (ESOL)
Insoluble
Log S (Ali)
-17.91
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-20.88
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.97
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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