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CAS 98169-56-3 (4R)-(-)-2-THIOXO-4-THIAZOLIDINECARBOXYLIC ACID molecular structure lightbox
CAS RN: 98169-56-3

(4R)-(-)-2-THIOXO-4-THIAZOLIDINECARBOXYLIC ACID

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250319 100mg In stock Shanghai Inquiry
Batchno.20260308 100mg / 250mg Confirm by inquiry Shanghai Inquiry
Batchno.20260505 1g In stock Shanghai Inquiry
Batchno.20260220 250mg In stock Shanghai Inquiry
Batchno.20250826 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS98169-56-3
  • Purity/Analytical Methods: >99.0%
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98169-56-3 / 2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid

Standard CAS: 98169-56-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
98169-56-3
Multi CAS
Yes
Molecular Formula
C4H5NO2S2
Molecular Weight
163.200000
Exact Mass
162.976171
InChI
InChI=1S/C4H5NO2S2/c6-3(7)2-1-9-4(8)5-2/h2H,1H2,(H,5,8)(H,6,7)/t2-/m0/s1
InChIKey
SQUOCHQOQMZGQP-REOHCLBHSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
39.62
TPSA
49.33

LogP / Solubility

WLOGP
0.06
MLOGP
0.05
XLogP3
0.5
Consensus LogP
0.2
Log S (ESOL)
-0.82
Class (ESOL)
Very soluble
Log S (Ali)
-0.94
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.89
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)
-3.67

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
2

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