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CAS 183267-04-1 1-[(trifluoromethyl)thio]-2,5-Pyrrolidinedione molecular structure lightbox
CAS RN: 183267-04-1

1-[(trifluoromethyl)thio]-2,5-Pyrrolidinedione

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251228 100mg In stock Shanghai Inquiry
Batchno.20250824 1g In stock Shanghai Inquiry
Batchno.20260216 250mg In stock Shanghai Inquiry
Batchno.20250617 5g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: SSC-084795
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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: ≥98%
  • 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 183267-04-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shanghai Inquiry

183267-04-1 / 1-(trifluoromethylsulfanyl)pyrrolidine-2,5-dione

Standard CAS: 183267-04-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
183267-04-1
Multi CAS
No
Molecular Formula
C5H4F3NO2S
Molecular Weight
199.150000
Exact Mass
198.991484
SMILES
C1CC(=O)N(C1=O)SC(F)(F)F
InChI
InChI=1S/C5H4F3NO2S/c6-5(7,8)12-9-3(10)1-2-4(9)11/h1-2H2
InChIKey
XXLNEWKWTZRGKM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
34.73
TPSA
37.38

LogP / Solubility

WLOGP
1.3
MLOGP
1.15
XLogP3
0.8
Consensus LogP
1.08
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.16
Class (SILICOS-IT)
Moderately 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)
-3.01

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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