CAS RN: 4430-36-8
Erucin
Product Availability
Choose a grade to view its available package options.
5 package records0 with current stock1 grade group
- Product code: SSC-152300
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
4430-36-8 / 1-isothiocyanato-4-methylsulfanylbutane
Basic Information
CAS
4430-36-8
Multi CAS
Yes
Molecular Formula
C6H11NS2
Molecular Weight
161.300000
Exact Mass
161.033292
InChI
InChI=1S/C6H11NS2/c1-9-5-3-2-4-7-6-8/h2-5H2,1H3
InChIKey
IHQDGXUYTSZGOG-UHFFFAOYSA-N
Physical Properties
Density
1.080-1.086 (20°)
Physical Description
Pale yellow liquid; Penetrating raddish-like aroma
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
47.51
TPSA
12.36
LogP / Solubility
WLOGP
2.23
MLOGP
1.96
XLogP3
3
Consensus LogP
2.4
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.16
Class (SILICOS-IT)
Poorly 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)
-2.12
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
