CAS RN: 73343-04-1
N-ETHYL 1,1-DIOXO-ISOTHIAZOLIDINE
Product Availability
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5 package records5 with current stock1 grade group
- Product code: starshine_CAS73343-04-1
- Purity/Analytical Methods: >99.0%
73343-04-1 / 2-ethyl-1,2-thiazolidine 1,1-dioxide
Basic Information
CAS
73343-04-1
Multi CAS
No
Molecular Formula
C5H11NO2S
Molecular Weight
149.210000
Exact Mass
149.051050
InChI
InChI=1S/C5H11NO2S/c1-2-6-4-3-5-9(6,7)8/h2-5H2,1H3
InChIKey
OPDWKYYREJZWQH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
35.65
TPSA
37.38
LogP / Solubility
WLOGP
0.04
MLOGP
0.03
Consensus LogP
0.02
Log S (ESOL)
-0.73
Class (ESOL)
Very soluble
Log S (Ali)
-0.81
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.78
Class (SILICOS-IT)
Very 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)
-3.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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