CAS RN: 175276-91-2
2-(PYRIDIN-2-YLSULFONYL)ETHANETHIOAMIDE
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.20250929 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS175276-91-2
- Purity/Analytical Methods: >99.0%
175276-91-2 / 2-pyridin-2-ylsulfonylethanethioamide
Basic Information
CAS
175276-91-2
Multi CAS
No
Molecular Formula
C7H8N2O2S2
Molecular Weight
216.300000
Exact Mass
216.002720
SMILES
C1=CC=NC(=C1)S(=O)(=O)CC(=S)N
InChI
InChI=1S/C7H8N2O2S2/c8-6(12)5-13(10,11)7-3-1-2-4-9-7/h1-4H,5H2,(H2,8,12)
InChIKey
SXZDKXKPNUSOTB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
53.08
TPSA
73.05
LogP / Solubility
WLOGP
0.14
MLOGP
0.13
Consensus LogP
0.09
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
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)
-3.94
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
1.5
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