CAS RN: 42163-67-7
(4S)-4-methyl-1,3-thiazolidine-2-thione
Product Availability
Available package options are listed below.
1 package records1 with current stock
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260326 | 200mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: LINS927322
42163-67-7 / (4S)-4-methyl-1,3-thiazolidine-2-thione
Basic Information
CAS
42163-67-7
Multi CAS
Yes
Molecular Formula
C4H7NS2
Molecular Weight
133.200000
Exact Mass
133.001992
InChI
InChI=1S/C4H7NS2/c1-3-2-7-4(6)5-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1
InChIKey
OUIAITHYQOIRPM-VKHMYHEASA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.75
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.65
TPSA
12.03
LogP / Solubility
WLOGP
1
MLOGP
0.87
XLogP3
1.3
Consensus LogP
1.06
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-1.37
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.35
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)
-2.83
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
2
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