CAS RN: 4303-41-7
2-CHLOROETHYL ISOPROPYL SULFIDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260113 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS4303-41-7
- Purity/Analytical Methods: >99.0%
4303-41-7 / 2-(2-chloroethylsulfanyl)propane
Basic Information
CAS
4303-41-7
Multi CAS
Yes
Molecular Formula
C5H11CLS
Molecular Weight
138.660000
Exact Mass
138.026999
InChI
InChI=1S/C5H11ClS/c1-5(2)7-4-3-6/h5H,3-4H2,1-2H3
InChIKey
BAPOBTZBOWUIHB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
38.31
TPSA
25.3000
LogP / Solubility
WLOGP
2.37
MLOGP
2.08
XLogP3
2.3
Consensus LogP
2.25
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
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)
-1.89
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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