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CAS 5391-52-6 TIZANIDINE RELATED COMPOUND C (50 MG) (1-ACETYLIMIDAZOLIDINE-2-THIONE) molecular structure lightbox
CAS RN: 5391-52-6

TIZANIDINE RELATED COMPOUND C (50 MG) (1-ACETYLIMIDAZOLIDINE-2-THIONE)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250329 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS5391-52-6
  • Purity/Analytical Methods: >99.0%
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5391-52-6 / 1-(2-sulfanylideneimidazolidin-1-yl)ethanone

Standard CAS: 5391-52-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5391-52-6
Multi CAS
No
Molecular Formula
C5H8N2OS
Molecular Weight
144.200000
Exact Mass
144.035734
InChI
InChI=1S/C5H8N2OS/c1-4(8)7-3-2-6-5(7)9/h2-3H2,1H3,(H,6,9)
InChIKey
XGAVQYNYNMJURR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.99
TPSA
32.34

LogP / Solubility

WLOGP
-0.28
MLOGP
-0.25
XLogP3
-0.3
Consensus LogP
-0.28
Log S (ESOL)
-0.56
Class (ESOL)
Very soluble
Log S (Ali)
-0.54
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.37
Class (SILICOS-IT)
Very 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)
-3.8

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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