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CAS 1394319-79-9 Ethyl 2-(1,1-dioxidothietan-3-ylidene)acetate molecular structure lightbox
CAS RN: 1394319-79-9

Ethyl 2-(1,1-dioxidothietan-3-ylidene)acetate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250924 100mg / 250mg Out of stock 15 business days Inquiry
  • Product code: SSC-050080
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1394319-79-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 2 In Stock Beijing Inquiry
0.25g >97% 2 In Stock Shenzhen Inquiry
1g >97% 2 In Stock Hong Kong Inquiry

1394319-79-9 / ethyl 2-(1,1-dioxothietan-3-ylidene)acetate

Standard CAS: 1394319-79-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1394319-79-9
Multi CAS
No
Molecular Formula
C7H10O4S
Molecular Weight
190.220000
Exact Mass
190.029980
SMILES
CCOC(=O)C=C1CS(=O)(=O)C1
InChI
InChI=1S/C7H10O4S/c1-2-11-7(8)3-6-4-12(9,10)5-6/h3H,2,4-5H2,1H3
InChIKey
YCHWXMHOXSFNCF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
43.37
TPSA
60.44

LogP / Solubility

WLOGP
-0.1
MLOGP
-0.09
XLogP3
-0.7
Consensus LogP
-0.3
Log S (ESOL)
-0.83
Class (ESOL)
Very soluble
Log S (Ali)
-1.05
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.06
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)
-3.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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