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CAS 138610-40-9 5-(2-thienylmethylene)-2,4-imidazolidinedione molecular structure lightbox
CAS RN: 138610-40-9

5-(2-thienylmethylene)-2,4-imidazolidinedione

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250329 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS138610-40-9
  • Purity/Analytical Methods: >99.0%
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138610-40-9 / (5Z)-5-(thiophen-2-ylmethylidene)imidazolidine-2,4-dione

Standard CAS: 138610-40-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
138610-40-9
Multi CAS
No
Molecular Formula
C8H6N2O2S
Molecular Weight
194.210000
Exact Mass
194.014999
SMILES
C1=CSC(=C1)/C=C\2/C(=O)NC(=O)N2
InChI
InChI=1S/C8H6N2O2S/c11-7-6(9-8(12)10-7)4-5-2-1-3-13-5/h1-4H,(H2,9,10,11,12)/b6-4-
InChIKey
NKNQLJMAPSUXLZ-XQRVVYSFSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
48.97
TPSA
58.2

LogP / Solubility

WLOGP
0.93
MLOGP
0.82
XLogP3
0.8
Consensus LogP
0.85
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
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)
-3.25

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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