CAS RN: 1247501-81-0
2-(1,1-Dioxidotetrahydro-2H-thiopyran-4-yl)ethanaMine
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: SSC-028931
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 | Shenzhen | Inquiry |
1247501-81-0 / 2-(1,1-dioxothian-4-yl)ethanamine
Basic Information
CAS
1247501-81-0
Multi CAS
No
Molecular Formula
C7H15NO2S
Molecular Weight
177.270000
Exact Mass
177.082350
SMILES
C1CS(=O)(=O)CCC1CCN
InChI
InChI=1S/C7H15NO2S/c8-4-1-7-2-5-11(9,10)6-3-7/h7H,1-6,8H2
InChIKey
HLAOHLRNYLAIDS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.05
TPSA
60.16
LogP / Solubility
WLOGP
0.16
MLOGP
0.14
XLogP3
-0.2
Consensus LogP
0.03
Log S (ESOL)
-0.91
Class (ESOL)
Very soluble
Log S (Ali)
-1.13
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.19
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)
-3.69
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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