CAS RN: 155514-79-7
S-METHYL-N,N-DIETHYLTHIOCARBAMATE SULFONE
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.20250725 | 25mg / 100mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS155514-79-7
- Purity/Analytical Methods: >99.0%
155514-79-7 / N,N-diethyl-1-methylsulfonylformamide
Basic Information
CAS
155514-79-7
Multi CAS
No
Molecular Formula
C6H13NO3S
Molecular Weight
179.240000
Exact Mass
179.061614
SMILES
CCN(CC)C(=O)S(=O)(=O)C
InChI
InChI=1S/C6H13NO3S/c1-4-7(5-2)6(8)11(3,9)10/h4-5H2,1-3H3
InChIKey
XRFGLFAEBISDIV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
43.16
TPSA
54.45
LogP / Solubility
WLOGP
0.49
MLOGP
0.43
XLogP3
0.1
Consensus LogP
0.34
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-1.39
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)
-3.46
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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