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CAS 96-69-5 4,4′-Thiobis(6-tert-butyl-m-cresol) molecular structure lightbox
CAS RN: 96-69-5

4,4′-Thiobis(6-tert-butyl-m-cresol)

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250221 100g In stock Shanghai Inquiry
Batchno.20251020 25g In stock Shanghai Inquiry
Batchno.20250505 500g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251103 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Chongqing, Hebei, Shanghai, Shandong Inquiry
  • Product code: SSC-211789
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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: 100g
  • 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 96-69-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Hong Kong Inquiry

96-69-5 / 2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol

Standard CAS: 96-69-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
96-69-5
Multi CAS
Yes
Molecular Formula
C22H30O2S
Molecular Weight
358.500000
Exact Mass
358.196651
InChI
InChI=1S/C22H30O2S/c1-13-9-17(23)15(21(3,4)5)11-19(13)25-20-12-16(22(6,7)8)18(24)10-14(20)2/h9-12,23-24H,1-8H3
InChIKey
HXIQYSLFEXIOAV-UHFFFAOYSA-N

Physical Properties

Melting Point
302 °F (NTP, 1992) 150 °C SANTONOX R MELTING POINT: 161 °C 302 °F
Density
1.1 at 77 °F (NTP, 1992) - Denser than water; will sink 1.10
Physical Description
4,4'-thiobis(6-tert-butyl-m-cresol) appears as white or light gray to tan powder. (NTP, 1992) Pellets or Large Crystals; Dry Powder Light-gray to tan powder with a slightly aromatic odor; [NIOSH] Light-gray to tan powder with a slightly aromatic odor.
Appearance
LIGHT GREY POWDER FINE WHITE CRYSTALS Light gray to tan powder.
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
107.21
TPSA
40.46

LogP / Solubility

WLOGP
6.46
MLOGP
5.7
XLogP3
7.4
Consensus LogP
6.52
Log S (ESOL)
-6.36
Class (ESOL)
Insoluble
Log S (Ali)
-7.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.59
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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