[email protected]
CAS 2557-81-5 Phenylsulfur Pentafluoride molecular structure lightbox
CAS RN: 2557-81-5

Phenylsulfur Pentafluoride

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260129 1g In stock Shanghai Inquiry
Batchno.20250423 250mg In stock Shanghai Inquiry
Batchno.20260209 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-121657
GET A QUOTE
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: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 2557-81-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

2557-81-5 / pentafluoro(phenyl)-lambda6-sulfane

Standard CAS: 2557-81-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2557-81-5
Multi CAS
No
Molecular Formula
C6H5F5S
Molecular Weight
204.160000
Exact Mass
204.003212
SMILES
C1=CC=C(C=C1)S(F)(F)(F)(F)F
InChI
InChI=1S/C6H5F5S/c7-12(8,9,10,11)6-4-2-1-3-5-6/h1-5H
InChIKey
DMNYFEWFSFTYEL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
37.84
TPSA
1.0000

LogP / Solubility

WLOGP
4.34
MLOGP
3.82
XLogP3
5.2
Consensus LogP
4.45
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.71
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.88

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us