CAS RN: 89639-76-9
2-(thiophen-2-ylthio)propanoic acid(WXC09523)
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.20260516 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS89639-76-9
- Purity/Analytical Methods: >99.0%
89639-76-9 / 2-thiophen-2-ylsulfanylpropanoic acid
Basic Information
CAS
89639-76-9
Multi CAS
Yes
Molecular Formula
C7H8O2S2
Molecular Weight
188.300000
Exact Mass
187.996572
InChI
InChI=1S/C7H8O2S2/c1-5(7(8)9)11-6-3-2-4-10-6/h2-5H,1H3,(H,8,9)
InChIKey
UBCAFGZJVJMJRF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.27
TPSA
37.3
LogP / Solubility
WLOGP
2.31
MLOGP
2.03
XLogP3
2.4
Consensus LogP
2.25
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.16
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)
-2.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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