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CAS 1869-45-0 AcetaMide, 2,2,2-trifluoro-N-(2-Mercaptoethyl)- molecular structure lightbox
CAS RN: 1869-45-0

AcetaMide, 2,2,2-trifluoro-N-(2-Mercaptoethyl)-

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250923 100mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shandong Inquiry
  • Product code: SSC-086853
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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: 5g
  • 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 1869-45-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1869-45-0 / 2,2,2-trifluoro-N-(2-sulfanylethyl)acetamide

Standard CAS: 1869-45-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1869-45-0
Multi CAS
No
Molecular Formula
C4H6F3NOS
Molecular Weight
173.160000
Exact Mass
173.012219
SMILES
C(CS)NC(=O)C(F)(F)F
InChI
InChI=1S/C4H6F3NOS/c5-4(6,7)3(9)8-1-2-10/h10H,1-2H2,(H,8,9)
InChIKey
RITJDHZIMGTYQQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
32.92
TPSA
29.1

LogP / Solubility

WLOGP
0.59
MLOGP
0.52
XLogP3
0.9
Consensus LogP
0.67
Log S (ESOL)
-1.16
Class (ESOL)
Soluble
Log S (Ali)
-1.41
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
Class (SILICOS-IT)
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)
-3.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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