CAS RN: 24171-89-9
Tri(2-thienyl)phosphine
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-118081
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: 5g
- Available purity: ≥97%
- 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 |
|---|---|---|---|---|
| 5g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
24171-89-9 / trithiophen-2-ylphosphane
Basic Information
CAS
24171-89-9
Multi CAS
No
Molecular Formula
C12H9PS3
Molecular Weight
280.400000
Exact Mass
279.960401
SMILES
C1=CSC(=C1)P(C2=CC=CS2)C3=CC=CS3
InChI
InChI=1S/C12H9PS3/c1-4-10(14-7-1)13(11-5-2-8-15-11)12-6-3-9-16-12/h1-9H
InChIKey
KUCPTMZJPDVWJL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
15
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
78.78
TPSA
84.7000
LogP / Solubility
WLOGP
3.63
MLOGP
3.2
XLogP3
4.7
Consensus LogP
3.84
Log S (ESOL)
-4.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.85
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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