CAS RN: 2050-87-5
Diallyl trisulfide
Product Availability
Choose a grade to view its available package options.
9 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250629 | 100g | Out of stock | Inquiry | ||
| Batchno.20250609 | 100g | In stock | Shandong | Inquiry | |
| Batchno.20250917 | 1g | In stock | Shanghai, Shandong, Guangdong, Hebei | Inquiry | |
| Batchno.20250310 | 25g | Out of stock | Inquiry | ||
| Batchno.20260616 | 25g | In stock | Shanghai, Shandong | Inquiry | |
| Batchno.20250611 | 500g | Out of stock | Inquiry | ||
| Batchno.20250723 | 500g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250528 | 5g | Out of stock | Inquiry | ||
| Batchno.20250704 | 5g | In stock | Shanghai, Shandong, Hebei | Inquiry |
- Product code: starshine_CAS2050-87-5
- Purity/Analytical Methods: >99.0%
2050-87-5 / 3-(prop-2-enyltrisulfanyl)prop-1-ene
Basic Information
CAS
2050-87-5
Multi CAS
No
Molecular Formula
C6H10S3
Molecular Weight
178.300000
Exact Mass
177.994464
SMILES
C=CCSSSCC=C
InChI
InChI=1S/C6H10S3/c1-3-5-7-9-8-6-4-2/h3-4H,1-2,5-6H2
InChIKey
UBAXRAHSPKWNCX-UHFFFAOYSA-N
Physical Properties
Boiling Point
112.00 to 120.00 °C. @ 16.00 mm Hg
Density
1.135-1.170
Physical Description
Liquid
yellow liquid with disagreeable odour
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
52.9
TPSA
75.9000
LogP / Solubility
WLOGP
3.39
MLOGP
2.98
XLogP3
2.6
Consensus LogP
2.99
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.35
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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