Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
- Available purity: ≥95%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ≥95% | 5 In Stock | Shanghai | Inquiry |
| 0.25g | ≥95% | 5 In Stock | Shenzhen | Inquiry |
| 1g | ≥95% | 5 In Stock | Beijing | Inquiry |
| 5g | ≥95% | 2 In Stock | Shanghai | Inquiry |
| 10g | ≥95% | 2 In Stock | Hong Kong | Inquiry |
153026-78-9 / 1-thiophen-3-ylprop-2-yn-1-ol
Basic Information
CAS
153026-78-9
Multi CAS
No
Molecular Formula
C7H6OS
Molecular Weight
138.190000
Exact Mass
138.013936
SMILES
C#CC(C1=CSC=C1)O
InChI
InChI=1S/C7H6OS/c1-2-7(8)6-3-4-9-5-6/h1,3-5,7-8H
InChIKey
VXSDJUAZYPBCKL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.11
TPSA
20.23
LogP / Solubility
WLOGP
1.41
MLOGP
1.24
XLogP3
1
Consensus LogP
1.22
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.71
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
Class (SILICOS-IT)
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)
-2.56
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
2
