CAS RN: 1680182-60-8
1,3,6,9-Tetraoxa-2-thiacycloundecane 2,2-Dioxide
- Product code: SSC-073276
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
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 | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1680182-60-8 / 1,3,6,9-tetraoxa-2lambda6-thiacycloundecane 2,2-dioxide
Basic Information
CAS
1680182-60-8
Multi CAS
No
Molecular Formula
C6H12O6S
Molecular Weight
212.220000
Exact Mass
212.035459
SMILES
C1COCCOS(=O)(=O)OCCO1
InChI
InChI=1S/C6H12O6S/c7-13(8)11-5-3-9-1-2-10-4-6-12-13/h1-6H2
InChIKey
ZJRSGYRNSKHAIN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
1
H-bond acceptors
6
Molar refractivity
42.46
TPSA
71.06
LogP / Solubility
WLOGP
-0.69
MLOGP
-0.6
XLogP3
-0.8
Consensus LogP
-0.7
Log S (ESOL)
-0.72
Class (ESOL)
Very soluble
Log S (Ali)
-0.8
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.47
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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