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CAS 4274-38-8 3-AMINO-4-MERCAPTOBENZOTRIFLUORIDE HYDROCHLORIDE molecular structure lightbox
CAS RN: 4274-38-8

3-AMINO-4-MERCAPTOBENZOTRIFLUORIDE HYDROCHLORIDE

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260613 100g Out of stock Inquiry
Batchno.20250521 1g In stock Shanghai Inquiry
Batchno.20250616 1g / 5g / 25g / 100g Confirm by inquiry Shandong, Hebei, Shanghai Inquiry
Batchno.20251130 25g In stock Shanghai Inquiry
Batchno.20250915 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-151009
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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 4274-38-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

4274-38-8 / 2-amino-4-(trifluoromethyl)benzenethiol;hydrochloride

Standard CAS: 4274-38-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4274-38-8
Multi CAS
Yes
Molecular Formula
C7H7CLF3NS
Molecular Weight
229.650000
Exact Mass
228.993983
InChI
InChI=1S/C7H6F3NS.ClH/c8-7(9,10)4-1-2-6(12)5(11)3-4;/h1-3,12H,11H2;1H
InChIKey
FIAGYDIJZOWVAB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
2
Molar refractivity
50.36
TPSA
26.02

LogP / Solubility

WLOGP
3
MLOGP
2.64
XLogP3
3
Consensus LogP
2.88
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
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)
-1.99

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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