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CAS 72505-21-6 4-(Trifluoromethyl)thiobenzamide molecular structure lightbox
CAS RN: 72505-21-6

4-(Trifluoromethyl)thiobenzamide

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250611 100g In stock Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251120 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20260314 25g In stock Tianjin Inquiry
Batchno.20251003 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-181998
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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 72505-21-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Shenzhen Inquiry

72505-21-6 / 4-(trifluoromethyl)benzenecarbothioamide

Standard CAS: 72505-21-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
72505-21-6
Multi CAS
Yes
Molecular Formula
C8F3H6NS
Molecular Weight
205.200000
Exact Mass
205.017305
InChI
InChI=1S/C8H6F3NS/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H2,12,13)
InChIKey
IPRFNMJROWWFBH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.33
TPSA
26.02

LogP / Solubility

WLOGP
2.34
MLOGP
2.06
XLogP3
2.3
Consensus LogP
2.23
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
Class (SILICOS-IT)
Poorly 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)
-2.31

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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