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CAS 950-59-4 2,6-Di-tert-butyl-4-mercaptophenol molecular structure lightbox
CAS RN: 950-59-4

2,6-Di-tert-butyl-4-mercaptophenol

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260622 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20251017 10g In stock Shanghai Inquiry
Batchno.20260607 1g In stock Shanghai Inquiry
Batchno.20250902 250mg In stock Shanghai Inquiry
Batchno.20250610 5g In stock Shanghai Inquiry
  • Product code: SSC-210207
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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: 0.25g
  • 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 950-59-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

950-59-4 / 2,6-ditert-butyl-4-sulfanylphenol

Standard CAS: 950-59-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
950-59-4
Multi CAS
Yes
Molecular Formula
C14H22OS
Molecular Weight
238.390000
Exact Mass
238.139136
InChI
InChI=1S/C14H22OS/c1-13(2,3)10-7-9(16)8-11(12(10)15)14(4,5)6/h7-8,15-16H,1-6H3
InChIKey
NFVMNXZFSKGLDR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
72.76
TPSA
20.23

LogP / Solubility

WLOGP
4.28
MLOGP
3.77
XLogP3
5.1
Consensus LogP
4.38
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.76
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)
-1.14

Drug-likeness / Medicinal Chemistry

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

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