CAS RN: 82187-66-4
(Thiophen-2-ylsulfanyl)-acetic acid ethyl ester
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.20250810 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS82187-66-4
- Purity/Analytical Methods: >99.0%
82187-66-4 / ethyl 2-thiophen-2-ylsulfanylacetate
Basic Information
CAS
82187-66-4
Multi CAS
No
Molecular Formula
C8H10O2S2
Molecular Weight
202.300000
Exact Mass
202.012222
InChI
InChI=1S/C8H10O2S2/c1-2-10-7(9)6-12-8-4-3-5-11-8/h3-5H,2,6H2,1H3
InChIKey
YNUNTAWVARFSQZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.38
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
51.68
TPSA
26.3
LogP / Solubility
WLOGP
2.4
MLOGP
2.12
XLogP3
2.7
Consensus LogP
2.41
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.45
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)
-2.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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