![CAS 91114-48-6 2-[(2-methoxy-2-oxoethyl)sulfanyl]acetic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/91114-48-6.gif)
CAS RN: 91114-48-6
2-[(2-methoxy-2-oxoethyl)sulfanyl]acetic acid
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.20260328 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS91114-48-6
- Purity/Analytical Methods: >99.0%
91114-48-6 / 2-(2-methoxy-2-oxoethyl)sulfanylacetic acid
Basic Information
CAS
91114-48-6
Multi CAS
No
Molecular Formula
C5H8O4S
Molecular Weight
164.180000
Exact Mass
164.014330
InChI
InChI=1S/C5H8O4S/c1-9-5(8)3-10-2-4(6)7/h2-3H2,1H3,(H,6,7)
InChIKey
YNPVYNMNQMSFNP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
36.98
TPSA
63.6
LogP / Solubility
WLOGP
-0.02
MLOGP
-0.02
XLogP3
0.4
Consensus LogP
0.12
Log S (ESOL)
-0.58
Class (ESOL)
Very soluble
Log S (Ali)
-0.89
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.19
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)
-3.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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- CAS RN: 91137-55-2
- Product Code: starshine_CAS91137-55-2
- Purity/Analytical method: >99.0%
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