CAS RN: 89124-76-5
1,1-dioxide-3-Thiomorpholinone
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: SSC-200992
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 |
89124-76-5 / 1,1-dioxo-1,4-thiazinan-3-one
Basic Information
CAS
89124-76-5
Multi CAS
No
Molecular Formula
C4H7NO3S
Molecular Weight
149.170000
Exact Mass
149.014664
InChI
InChI=1S/C4H7NO3S/c6-4-3-9(7,8)2-1-5-4/h1-3H2,(H,5,6)
InChIKey
JQLQRTIYJFIXIE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.75
H-bond acceptors
3
H-bond donors
1
Molar refractivity
31.66
TPSA
63.24
LogP / Solubility
WLOGP
-1.47
MLOGP
-1.3
XLogP3
-1.3
Consensus LogP
-1.36
Log S (ESOL)
0.16
Class (ESOL)
Highly soluble
Log S (Ali)
0.28
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.59
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)
-4.67
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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