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CAS 353492-16-7 N-(AMINOTHIOXOMETHYL)-PYRIDINE-4-CARBOXAMIDE molecular structure lightbox
CAS RN: 353492-16-7

N-(AMINOTHIOXOMETHYL)-PYRIDINE-4-CARBOXAMIDE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250309 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS353492-16-7
  • Purity/Analytical Methods: >99.0%
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353492-16-7 / N-carbamothioylpyridine-4-carboxamide

Standard CAS: 353492-16-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
353492-16-7
Multi CAS
No
Molecular Formula
C7H7N3OS
Molecular Weight
181.220000
Exact Mass
181.030983
InChI
InChI=1S/C7H7N3OS/c8-7(12)10-6(11)5-1-3-9-4-2-5/h1-4H,(H3,8,10,11,12)
InChIKey
VBILJGURWVPYOF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
48.49
TPSA
68.01

LogP / Solubility

WLOGP
0.05
MLOGP
0.05
XLogP3
0.5
Consensus LogP
0.2
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-1.09
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1
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)
-3.79

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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