CAS RN: 622-63-9
4-(Ethylthio)toluene
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.20251212 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS622-63-9
- Purity/Analytical Methods: >99.0%
622-63-9 / 1-ethylsulfanyl-4-methylbenzene
Basic Information
CAS
622-63-9
Multi CAS
Yes
Molecular Formula
C9H12S
Molecular Weight
152.260000
Exact Mass
152.065972
InChI
InChI=1S/C9H12S/c1-3-10-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
InChIKey
TXMFDSUMJLQLGB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
47.58
TPSA
25.3000
LogP / Solubility
WLOGP
3.11
MLOGP
2.73
XLogP3
3.2
Consensus LogP
3.01
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
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)
-1.44
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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- CAS RN: 623-36-9
- Product Code: starshine_CAS623-36-9
- Purity/Analytical method: >99.0%
