CAS RN: 2362-50-7
Thianthrene 5-Oxide
Product Availability
Choose a grade to view its available package options.
9 package records8 with current stock4 grade groups
- Product code: SSC-115018
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
2362-50-7 / thianthrene 5-oxide
Basic Information
CAS
2362-50-7
Multi CAS
No
Molecular Formula
C12H8OS2
Molecular Weight
232.300000
Exact Mass
232.001657
SMILES
C1=CC=C2C(=C1)SC3=CC=CC=C3S2=O
InChI
InChI=1S/C12H8OS2/c13-15-11-7-3-1-5-9(11)14-10-6-2-4-8-12(10)15/h1-8H
InChIKey
NYVGTLXTOJKHJN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
H-bond acceptors
2
Molar refractivity
61.68
TPSA
17.07
LogP / Solubility
WLOGP
3.32
MLOGP
2.92
XLogP3
2.9
Consensus LogP
3.05
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.92
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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