CAS RN: 71369-81-8
2-(4-METHOXYPHENYLAMINO)-2-THIOXOACETAMIDE
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.20260515 | 250mg / 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINM927320
71369-81-8 / 2-(4-methoxyanilino)-2-sulfanylideneacetamide
Basic Information
CAS
71369-81-8
Multi CAS
No
Molecular Formula
C9H10N2O2S
Molecular Weight
210.260000
Exact Mass
210.046299
InChI
InChI=1S/C9H10N2O2S/c1-13-7-4-2-6(3-5-7)11-9(14)8(10)12/h2-5H,1H3,(H2,10,12)(H,11,14)
InChIKey
FIVODOWKJKUEOQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
58.41
TPSA
64.35
LogP / Solubility
WLOGP
0.92
MLOGP
0.81
XLogP3
1
Consensus LogP
0.91
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
Class (SILICOS-IT)
Moderately 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)
-3.35
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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