CAS RN: 5943-34-0
DIISOPROPYL TRISULFIDE
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-167880
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: ≥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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
5943-34-0 / 2-(propan-2-yltrisulfanyl)propane
Basic Information
CAS
5943-34-0
Multi CAS
Yes
Molecular Formula
C6H14S3
Molecular Weight
182.400000
Exact Mass
182.025764
InChI
InChI=1S/C6H14S3/c1-5(2)7-9-8-6(3)4/h5-6H,1-4H3
InChIKey
WUZSBMCRYUJOEU-UHFFFAOYSA-N
Physical Properties
Density
1.134-1.140
Physical Description
Clear colourless to slightly yellowish liquid; sulfurous garlic-like aroma
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
53.05
TPSA
75.9000
LogP / Solubility
WLOGP
3.83
MLOGP
3.37
XLogP3
2.9
Consensus LogP
3.37
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.51
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)
-1.11
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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