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CAS 1733-88-6 Potassium Phenyl Sulfate molecular structure lightbox
CAS RN: 1733-88-6

Potassium Phenyl Sulfate

  • Product code: SSC-076100
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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 1733-88-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1733-88-6 / potassium phenyl sulfate

Standard CAS: 1733-88-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1733-88-6
Multi CAS
No
Molecular Formula
C6H5KO4S
Molecular Weight
212.270000
Exact Mass
211.954561
SMILES
C1=CC=C(C=C1)OS(=O)(=O)[O-].[K+]
InChI
InChI=1S/C6H6O4S.K/c7-11(8,9)10-6-4-2-1-3-5-6;/h1-5H,(H,7,8,9);/q;+1/p-1
InChIKey
NOUFXYHWAWIDNT-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
36.77
TPSA
66.43

LogP / Solubility

WLOGP
-2.47
MLOGP
-2.17
XLogP3
-2.47
Consensus LogP
-2.37
Log S (ESOL)
0.16
Class (ESOL)
Highly soluble
Log S (Ali)
0.48
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.77
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-5.77

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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