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CAS 75081-21-9 Isopropyl-9H-thioxanthen-9-one molecular structure lightbox
CAS RN: 75081-21-9

Isopropyl-9H-thioxanthen-9-one

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250219 1g In stock Shandong Inquiry
Batchno.20250614 25g In stock Shanghai Inquiry
Batchno.20250313 5g In stock Shanghai, Guangdong Inquiry
  • Product code: starshine_CAS75081-21-9
  • Purity/Analytical Methods: >99.0%
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75081-21-9 / 4-propan-2-ylthioxanthen-9-one

Standard CAS: 75081-21-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
75081-21-9
Multi CAS
Yes
Molecular Formula
C16H14OS
Molecular Weight
254.300000
Exact Mass
254.076536
InChI
InChI=1S/C16H14OS/c1-10(2)11-7-5-9-14-15(11)16(17)12-6-3-4-8-13(12)18-14/h3-10H,1-2H3
InChIKey
YIKSHDNOAYSSPX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
14
Fraction Csp3
0.19
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
79.69
TPSA
17.07

LogP / Solubility

WLOGP
4.54
MLOGP
4
XLogP3
4.6
Consensus LogP
4.38
Log S (ESOL)
-4.79
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.2
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.05

Drug-likeness / Medicinal Chemistry

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

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