CAS RN: 14905-81-8
Isopropyl 4-methylphenyl sulfide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251011 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS14905-81-8
- Purity/Analytical Methods: >99.0%
14905-81-8 / 1-methyl-4-propan-2-ylsulfanylbenzene
Basic Information
CAS
14905-81-8
Multi CAS
No
Molecular Formula
C10H14S
Molecular Weight
166.290000
Exact Mass
166.081622
SMILES
CC1=CC=C(C=C1)SC(C)C
InChI
InChI=1S/C10H14S/c1-8(2)11-10-6-4-9(3)5-7-10/h4-8H,1-3H3
InChIKey
LXDBBXHXMUZFBP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
52.17
TPSA
25.3000
LogP / Solubility
WLOGP
3.5
MLOGP
3.07
XLogP3
3.6
Consensus LogP
3.39
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
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)
-1.25
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: 14910-99-7
- Product Code: starshine_CAS14910-99-7
- Purity/Analytical method: >99.0%
