![CAS 351491-23-1 Propanoic acid, 2-[(ethoxythioxomethyl)thio]-, methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/351491-23-1.gif)
CAS RN: 351491-23-1
Propanoic acid, 2-[(ethoxythioxomethyl)thio]-, methyl ester
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250416 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20250707 | 10g | In stock | Shanghai | Inquiry |
| Batchno.20250607 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250222 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20251117 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20251207 | 5g | In stock | Shanghai | Inquiry |
| Batchno.20260603 | 5g | In stock | Shanghai, Guangdong | Inquiry |
- Product code: starshine_CAS351491-23-1
- Purity/Analytical Methods: >99.0%
351491-23-1 / methyl 2-ethoxycarbothioylsulfanylpropanoate
Basic Information
CAS
351491-23-1
Multi CAS
No
Molecular Formula
C7H12O3S2
Molecular Weight
208.300000
Exact Mass
208.022787
InChI
InChI=1S/C7H12O3S2/c1-4-10-7(11)12-5(2)6(8)9-3/h5H,4H2,1-3H3
InChIKey
KYOQMYIXFMSKFI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.71
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
53.29
TPSA
35.53
LogP / Solubility
WLOGP
1.6
MLOGP
1.41
XLogP3
2.3
Consensus LogP
1.77
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
Class (SILICOS-IT)
Moderately 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)
-2.85
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
2
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