CAS RN: 51460-47-0
3-THIOPHENECARBOXAMIDE 98
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.20250330 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS51460-47-0
- Purity/Analytical Methods: >99.0%
51460-47-0 / thiophene-3-carboxamide
Basic Information
CAS
51460-47-0
Multi CAS
No
Molecular Formula
C5H5NOS
Molecular Weight
127.170000
Exact Mass
127.009185
InChI
InChI=1S/C5H5NOS/c6-5(7)4-1-2-8-3-4/h1-3H,(H2,6,7)
InChIKey
DAUYIKBTMNZABP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
32.84
TPSA
43.09
LogP / Solubility
WLOGP
0.85
MLOGP
0.74
XLogP3
0.5
Consensus LogP
0.7
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.31
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)
-2.89
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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