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CAS 109-03-5 1,4-Oxathiane 4-oxide molecular structure lightbox
CAS RN: 109-03-5

1,4-Oxathiane 4-oxide

  • Product code: SSC-010172
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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: 0.1g, 0.25g, 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 109-03-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

109-03-5 / 1,4-oxathiane 4-oxide

1,4-Oxathiane oxide | 1,4-Oxathiane, 4-oxide | 1,4-Thioxane sulfoxide

Standard CAS: 109-03-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
109-03-5
Multi CAS
Yes
Molecular Formula
C4H8O2S
Molecular Weight
120.170000
Exact Mass
120.024501
SMILES
C1CS(=O)CCO1
InChI
InChI=1S/C4H8O2S/c5-7-3-1-6-2-4-7/h1-4H2
InChIKey
GAUOLZMDPTWNNX-UHFFFAOYSA-N
Synonyms
1,4-Oxathiane oxide 1,4-Oxathiane, 4-oxide 1,4-Thioxane sulfoxide DTXSID30282736 RefChem:73372

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
H-bond acceptors
2
Molar refractivity
28.7
TPSA
26.3

LogP / Solubility

WLOGP
-0.23
MLOGP
-0.22
XLogP3
-1.1
Consensus LogP
-0.52
Log S (ESOL)
-0.44
Class (ESOL)
Very soluble
Log S (Ali)
-0.38
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.25
Class (SILICOS-IT)
Very 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)
-3.62

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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