CAS RN: 5008-73-1
ISOPROPYL N-PROPYL SULFIDE
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: SSC-156449
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: 5ml
- 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 |
|---|---|---|---|---|
| 5ml | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
5008-73-1 / 1-propan-2-ylsulfanylpropane
Basic Information
CAS
5008-73-1
Multi CAS
No
Molecular Formula
C6H14S
Molecular Weight
118.240000
Exact Mass
118.081622
InChI
InChI=1S/C6H14S/c1-4-5-7-6(2)3/h6H,4-5H2,1-3H3
InChIKey
BDFDQOJJDDORSR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
37.89
TPSA
25.3000
LogP / Solubility
WLOGP
2.54
MLOGP
2.22
XLogP3
2.6
Consensus LogP
2.45
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
Class (SILICOS-IT)
Moderately 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)
-1.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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