CAS RN: 155601-61-9
N-HYDROXY-2-THIOPHEN-3-YL-ACETAMIDINE
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.20250921 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS155601-61-9
- Purity/Analytical Methods: >99.0%
155601-61-9 / N'-hydroxy-2-thiophen-3-ylethanimidamide
Basic Information
CAS
155601-61-9
Multi CAS
No
Molecular Formula
C6H8N2OS
Molecular Weight
156.210000
Exact Mass
156.035734
SMILES
C1=CSC=C1C/C(=N\O)/N
InChI
InChI=1S/C6H8N2OS/c7-6(8-9)3-5-1-2-10-4-5/h1-2,4,9H,3H2,(H2,7,8)
InChIKey
LGPSLLXIJLFLIW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
41.43
TPSA
58.61
LogP / Solubility
WLOGP
1.04
MLOGP
0.91
XLogP3
0.7
Consensus LogP
0.88
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
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)
-2.94
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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