![CAS 202126-51-0 5-Hexyl-1,3-dithiolo[4,5-d][1,3]dithiole-2-thione molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/h1163-jpgcontextbwfzdgvyfhjvb3r8mjc3otv8aw1hz2uvanblz3xonzqvagixlzg5mza5odaxmzq5ndivsdexnjmuanbnfgm0odjkmwnkota5m2y2odmwzjg4zdrhmjjmmme0n2e0odllowm4mjhjmzqyowq2nmyxogvkmzm3y2ywnzg1zdq.jpeg)
CAS RN: 202126-51-0
5-Hexyl-1,3-dithiolo[4,5-d][1,3]dithiole-2-thione
- Product code: SSC-095243
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 | Hong Kong | Inquiry |
202126-51-0 / 2-hexyl-[1,3]dithiolo[4,5-d][1,3]dithiole-5-thione
Basic Information
CAS
202126-51-0
Multi CAS
No
Molecular Formula
C10H14S5
Molecular Weight
294.600000
Exact Mass
293.969906
SMILES
CCCCCCC1SC2=C(S1)SC(=S)S2
InChI
InChI=1S/C10H14S5/c1-2-3-4-5-6-7-12-8-9(13-7)15-10(11)14-8/h7H,2-6H2,1H3
InChIKey
RMWMTOWGAZGYGL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.7
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
77.29
TPSA
133.0000
LogP / Solubility
WLOGP
6.03
MLOGP
5.32
XLogP3
6.2
Consensus LogP
5.85
Log S (ESOL)
-5.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.33
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.18
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-0.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
