CAS RN: 5651-88-7
PHENYL PROPARGYL SULFIDE
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260610 | 1ml / 5ml / 25ml | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS5651-88-7
- Purity/Analytical Methods: >99.0%
5651-88-7 / prop-2-ynylsulfanylbenzene
Basic Information
CAS
5651-88-7
Multi CAS
No
Molecular Formula
C9H8S
Molecular Weight
148.230000
Exact Mass
148.034671
InChI
InChI=1S/C9H8S/c1-2-8-10-9-6-4-3-5-7-9/h1,3-7H,8H2
InChIKey
HXKVNRKJSSHQQY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
46
TPSA
25.3000
LogP / Solubility
WLOGP
2.41
MLOGP
2.12
XLogP3
3
Consensus LogP
2.51
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
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)
-1.91
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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- CAS RN: 5654-86-4
- Product Code: starshine_CAS5654-86-4
- Purity/Analytical method: >99.0%
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