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CAS 21243-12-9 8-FLUORO-2,3-DIHYDRO-4H-THIOCHROMEN-4-ONE molecular structure lightbox
CAS RN: 21243-12-9

8-FLUORO-2,3-DIHYDRO-4H-THIOCHROMEN-4-ONE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260617 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-101472
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 21243-12-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

21243-12-9 / 8-fluoro-2,3-dihydrothiochromen-4-one

Standard CAS: 21243-12-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21243-12-9
Multi CAS
No
Molecular Formula
C9H7FOS
Molecular Weight
182.220000
Exact Mass
182.020164
SMILES
C1CSC2=C(C1=O)C=CC=C2F
InChI
InChI=1S/C9H7FOS/c10-7-3-1-2-6-8(11)4-5-12-9(6)7/h1-3H,4-5H2
InChIKey
DLPXAUNBZAYCFB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
H-bond acceptors
2
Molar refractivity
46.07
TPSA
17.07

LogP / Solubility

WLOGP
2.5
MLOGP
2.2
XLogP3
2
Consensus LogP
2.23
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
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)
-2.05

Drug-likeness / Medicinal Chemistry

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

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