CAS RN: 102831-92-5
(S)-4-Isopropyl-3-propionyl-1,3-oxazolidine-2-thione
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250101 | 50mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS102831-92-5
- Purity/Analytical Methods: >99.0%
102831-92-5 / 1-(4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl)propan-1-one
1-[(4S)-4-(propan-2-yl)-2-sulfanylidene-1,3-thiazolidin-3-yl]propan-1-one | (4S)-4-Isopropyl-3-propanoylthiazolidine-2-thione | SCHEMBL10416541
Basic Information
CAS
102831-92-5
Multi CAS
Yes
Molecular Formula
C9H15NOS2
Molecular Weight
217.400000
Exact Mass
217.059506
SMILES
CCC(=O)N1C(CSC1=S)C(C)C
InChI
InChI=1S/C9H15NOS2/c1-4-8(11)10-7(6(2)3)5-13-9(10)12/h6-7H,4-5H2,1-3H3/t7-/m1/s1
InChIKey
LUMSKZAOAHMEGE-SSDOTTSWSA-N
Synonyms
1-[(4S)-4-(propan-2-yl)-2-sulfanylidene-1,3-thiazolidin-3-yl]propan-1-one
(4S)-4-Isopropyl-3-propanoylthiazolidine-2-thione
SCHEMBL10416541
(S)-1-(4-Isopropyl-2-thioxothiazolidin-3-yl)propan-1-one
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.78
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
60.82
TPSA
20.31
LogP / Solubility
WLOGP
2.28
MLOGP
2.01
XLogP3
2.7
Consensus LogP
2.33
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.21
Class (SILICOS-IT)
Poorly 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)
-2.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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