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CAS 521972-99-6 (Z)-5-(furan-2-ylmethylene)-2-thioxothiazolidin-4-one molecular structure lightbox
CAS RN: 521972-99-6

(Z)-5-(furan-2-ylmethylene)-2-thioxothiazolidin-4-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260317 1mg / 5mg / 10mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS521972-99-6
  • Purity/Analytical Methods: >99.0%
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521972-99-6 / (5Z)-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

Standard CAS: 521972-99-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
521972-99-6
Multi CAS
Yes
Molecular Formula
C8H5NO2S2
Molecular Weight
211.300000
Exact Mass
210.976171
InChI
InChI=1S/C8H5NO2S2/c10-7-6(13-8(12)9-7)4-5-2-1-3-11-5/h1-4H,(H,9,10,12)/b6-4-
InChIKey
ISSUVJNRFWFRIV-XQRVVYSFSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
55.02
TPSA
42.24

LogP / Solubility

WLOGP
1.77
MLOGP
1.56
XLogP3
0.6
Consensus LogP
1.31
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
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)
-2.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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