CAS RN: 1121795-67-2
Carbonothioic acid, S-ethyl O-((5-methyl-2-oxo-1,3-dioxol-4-yl)methyl) ester
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250906 | 1g | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250715 | 250mg | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250705 | 250mg / 1g / 5g | Confirm by inquiry | Shandong | Inquiry |
| Batchno.20250618 | 25g | Out of stock | Inquiry | |
| Batchno.20260120 | 5g | In stock | Shanghai, Shenzhen, Wuhan, Chengdu | Inquiry |
- Product code: SSC-012648
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
1121795-67-2 / (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ethylsulfanylformate
S-Ethyl O-((5-methyl-2-oxo-1,3-dioxol-4-yl)methyl) carbonothioate | MFCD34561920 | Carbonothioic acid, S-ethyl O-((5-methyl-2-oxo-1,3-dioxol-4-yl)methyl) ester
Basic Information
CAS
1121795-67-2
Multi CAS
No
Molecular Formula
C8H10O5S
Molecular Weight
218.230000
Exact Mass
218.024895
SMILES
CCSC(=O)OCC1=C(OC(=O)O1)C
InChI
InChI=1S/C8H10O5S/c1-3-14-8(10)11-4-6-5(2)12-7(9)13-6/h3-4H2,1-2H3
InChIKey
FNMGIGZFOVYSJH-UHFFFAOYSA-N
Synonyms
S-Ethyl O-((5-methyl-2-oxo-1,3-dioxol-4-yl)methyl) carbonothioate
MFCD34561920
Carbonothioic acid, S-ethyl O-((5-methyl-2-oxo-1,3-dioxol-4-yl)methyl) ester
S-Ethyl O-[(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl] Carbonothioate
SCHEMBL22939353
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
50.3
TPSA
69.65
LogP / Solubility
WLOGP
1.93
MLOGP
1.7
XLogP3
1.7
Consensus LogP
1.78
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.04
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)
-2.68
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
1.5
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