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: 25g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 25g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
3278-22-6 / 1-(ethenylsulfonylmethylsulfonyl)ethene
Basic Information
CAS
3278-22-6
Multi CAS
Yes
Molecular Formula
C5H8O4S2
Molecular Weight
196.200000
Exact Mass
195.986401
InChI
InChI=1S/C5H8O4S2/c1-3-10(6,7)5-11(8,9)4-2/h3-4H,1-2,5H2
InChIKey
IJHIIHORMWQZRQ-UHFFFAOYSA-N
Physical Properties
Physical Description
Dry Powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
43.1
TPSA
68.28
LogP / Solubility
WLOGP
0.06
MLOGP
0.05
XLogP3
0.1
Consensus LogP
0.07
Log S (ESOL)
-0.83
Class (ESOL)
Very soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.47
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)
-3.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
