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CAS 330-14-3 4-(Trifluoromethylthio)benzoyl Chloride molecular structure lightbox
CAS RN: 330-14-3

4-(Trifluoromethylthio)benzoyl Chloride

Product Availability

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7 package records6 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260621 1g In stock Inquiry
Batchno.20250620 25g Out of stock Inquiry
Batchno.20250115 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250823 100g In stock Shanghai, Shenzhen Inquiry
Batchno.20260502 25g In stock Shanghai Inquiry
Batchno.20260514 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250413 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-138821
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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: 100g
  • 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 330-14-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Shenzhen Inquiry

330-14-3 / 4-(trifluoromethylsulfanyl)benzoyl chloride

Standard CAS: 330-14-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
330-14-3
Multi CAS
Yes
Molecular Formula
C8H4CLF3OS
Molecular Weight
240.630000
Exact Mass
239.962348
InChI
InChI=1S/C8H4ClF3OS/c9-7(13)5-1-3-6(4-2-5)14-8(10,11)12/h1-4H
InChIKey
BCMFTOCCLOAGBP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
48.54
TPSA
17.07

LogP / Solubility

WLOGP
3.68
MLOGP
3.24
XLogP3
4.2
Consensus LogP
3.71
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.52
Class (SILICOS-IT)
Slightly 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)
-1.58

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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