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CAS 56347-27-4 3-hexyl-2-thioxo-1,3-thiazolidin-4-one molecular structure lightbox
CAS RN: 56347-27-4

3-hexyl-2-thioxo-1,3-thiazolidin-4-one

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260222 100mg In stock Shanghai Inquiry
Batchno.20250119 10g Out of stock Inquiry
Batchno.20251010 1g In stock Shanghai, Wuhan Inquiry
Batchno.20260107 250mg In stock Shanghai Inquiry
Batchno.20251104 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS56347-27-4
  • Purity/Analytical Methods: >99.0%
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56347-27-4 / 3-hexyl-2-sulfanylidene-1,3-thiazolidin-4-one

Standard CAS: 56347-27-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
56347-27-4
Multi CAS
No
Molecular Formula
C9H15NOS2
Molecular Weight
217.400000
Exact Mass
217.059506
InChI
InChI=1S/C9H15NOS2/c1-2-3-4-5-6-10-8(11)7-13-9(10)12/h2-7H2,1H3
InChIKey
LPASVVQQHVDHIG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.78
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
60.91
TPSA
20.31

LogP / Solubility

WLOGP
2.43
MLOGP
2.14
XLogP3
3.2
Consensus LogP
2.59
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
Class (SILICOS-IT)
Poorly 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)
-2.32

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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