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CAS 20077-10-5 2-Bromo-9H-thioxanthen-9-one molecular structure lightbox
CAS RN: 20077-10-5

2-Bromo-9H-thioxanthen-9-one

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260529 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250322 100mg In stock Shanghai Inquiry
Batchno.20260102 1g In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20260301 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260228 25g In stock Shanghai Inquiry
Batchno.20250505 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250318 100mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-094649
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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: ≥95%
  • 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 20077-10-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

20077-10-5 / 2-bromothioxanthen-9-one

Standard CAS: 20077-10-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20077-10-5
Multi CAS
No
Molecular Formula
C13H7BrOS
Molecular Weight
291.160000
Exact Mass
289.940100
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)Br
InChI
InChI=1S/C13H7BrOS/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7H
InChIKey
XOYDXFFMXDJBQU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
14
H-bond acceptors
2
Molar refractivity
73.3
TPSA
17.07

LogP / Solubility

WLOGP
4.18
MLOGP
3.69
XLogP3
4.7
Consensus LogP
4.19
Log S (ESOL)
-4.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.96
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.02
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)
-1.53

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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