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CAS 19044-42-9 2,2-Dioxide-1,2,3-oxathiazolidine molecular structure lightbox
CAS RN: 19044-42-9

2,2-Dioxide-1,2,3-oxathiazolidine

  • Product code: SSC-089180
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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: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 19044-42-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

19044-42-9 / oxathiazolidine 2,2-dioxide

Standard CAS: 19044-42-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19044-42-9
Multi CAS
No
Molecular Formula
C2H5NO3S
Molecular Weight
123.130000
Exact Mass
122.999014
SMILES
C1COS(=O)(=O)N1
InChI
InChI=1S/C2H5NO3S/c4-7(5)3-1-2-6-7/h3H,1-2H2
InChIKey
MBACRDZWRXWNMY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
22.87
TPSA
55.4

LogP / Solubility

WLOGP
-1.15
MLOGP
-1.02
XLogP3
-0.8
Consensus LogP
-0.99
Log S (ESOL)
0.12
Class (ESOL)
Highly soluble
Log S (Ali)
0.26
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.49
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.29

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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