CAS RN: 142770-42-1
1-Chloro-4-propoxy-9H-thioxanthen-9-one
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260318 | 100g | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250321 | 10g | In stock | Shanghai, Wuhan, Chengdu | Inquiry |
| Batchno.20250726 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20260127 | 1kg | In stock | Shanghai | Inquiry |
| Batchno.20250511 | 250mg / 1g / 5g / 10g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
| Batchno.20260701 | 25g | In stock | Shanghai, Wuhan, Chengdu | Inquiry |
| Batchno.20260306 | 500g | In stock | Shanghai | Inquiry |
| Batchno.20260625 | 5g | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry |
- Product code: SSC-053999
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: 5g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
142770-42-1 / 1-chloro-4-propoxythioxanthen-9-one
Basic Information
CAS
142770-42-1
Multi CAS
No
Molecular Formula
C16H13ClO2S
Molecular Weight
304.800000
Exact Mass
304.032479
SMILES
CCCOC1=C2C(=C(C=C1)Cl)C(=O)C3=CC=CC=C3S2
InChI
InChI=1S/C16H13ClO2S/c1-2-9-19-12-8-7-11(17)14-15(18)10-5-3-4-6-13(10)20-16(12)14/h3-8H,2,9H2,1H3
InChIKey
VKQJCUYEEABXNK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
14
Fraction Csp3
0.19
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
86.4
TPSA
26.3
LogP / Solubility
WLOGP
4.86
MLOGP
4.29
XLogP3
5
Consensus LogP
4.72
Log S (ESOL)
-5.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.03
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, P391, and P501
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