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CAS 172265-90-6 Thymol Sulfate Potassium Salt molecular structure lightbox
CAS RN: 172265-90-6

Thymol Sulfate Potassium Salt

  • Product code: SSC-075738
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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: ＞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 172265-90-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

172265-90-6 / potassium (5-methyl-2-propan-2-ylphenyl) sulfate

Standard CAS: 172265-90-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
172265-90-6
Multi CAS
No
Molecular Formula
C10H13KO4S
Molecular Weight
268.370000
Exact Mass
268.017162
SMILES
CC1=CC(=C(C=C1)C(C)C)OS(=O)(=O)[O-].[K+]
InChI
InChI=1S/C10H14O4S.K/c1-7(2)9-5-4-8(3)6-10(9)14-15(11,12)13;/h4-7H,1-3H3,(H,11,12,13);/q;+1/p-1
InChIKey
LSWDPFMSOKRHJG-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
55.59
TPSA
66.43

LogP / Solubility

WLOGP
-1.04
MLOGP
-0.91
XLogP3
-1.04
Consensus LogP
-1
Log S (ESOL)
-0.93
Class (ESOL)
Very soluble
Log S (Ali)
-1.01
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.9
Class (SILICOS-IT)
Very 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)
-5.09

Drug-likeness / Medicinal Chemistry

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

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