CAS RN: 76397-53-0
3-Acetylthiazolidine-2-thione
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-185820
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 | Beijing | Inquiry |
76397-53-0 / 1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
Basic Information
CAS
76397-53-0
Multi CAS
No
Molecular Formula
C5H7NOS2
Molecular Weight
161.300000
Exact Mass
160.996906
InChI
InChI=1S/C5H7NOS2/c1-4(7)6-2-3-9-5(6)8/h2-3H2,1H3
InChIKey
BMOBFBQWISCVKX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.6
H-bond acceptors
3
Molar refractivity
42.44
TPSA
20.31
LogP / Solubility
WLOGP
0.87
MLOGP
0.76
XLogP3
0.8
Consensus LogP
0.81
Log S (ESOL)
-1.39
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.43
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)
-3.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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