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CAS 110553-27-0 2-Methyl-4,6-bis[(n-octylthio)methyl]phenol molecular structure lightbox
CAS RN: 110553-27-0

2-Methyl-4,6-bis[(n-octylthio)methyl]phenol

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251120 100g In stock Inquiry
Batchno.20250623 25g In stock Inquiry
Batchno.20250420 500g In stock Inquiry
Batchno.20260623 5g In stock Inquiry
  • Product code: SSC-011589
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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: 500g
  • 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 110553-27-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥97% 0 Out of Stock Shenzhen Inquiry

110553-27-0 / 2-methyl-4,6-bis(octylsulfanylmethyl)phenol

4,6-Bis(octylthiomethyl)-o-cresol | 2-methyl-4,6-bis((octylthio)methyl)phenol | Irganox 1520

Standard CAS: 110553-27-0 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
110553-27-0
Multi CAS
No
Molecular Formula
C25H44OS2
Molecular Weight
424.800000
Exact Mass
424.283358
SMILES
CCCCCCCCSCC1=CC(=C(C(=C1)C)O)CSCCCCCCCC
InChI
InChI=1S/C25H44OS2/c1-4-6-8-10-12-14-16-27-20-23-18-22(3)25(26)24(19-23)21-28-17-15-13-11-9-7-5-2/h18-19,26H,4-17,20-21H2,1-3H3
InChIKey
GAODDBNJCKQQDY-UHFFFAOYSA-N
Synonyms
4,6-Bis(octylthiomethyl)-o-cresol 2-methyl-4,6-bis((octylthio)methyl)phenol Irganox 1520 2-methyl-4,6-bis[(octylthio)methyl]phenol Phenol, 2-methyl-4,6-bis[(octylthio)methyl]-

Physical Properties

Physical Description
Other Solid; Liquid; Pellets or Large Crystals
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.76
Rotatable bonds
18
H-bond acceptors
3
H-bond donors
1
Molar refractivity
131.92
TPSA
20.23

LogP / Solubility

WLOGP
8.89
MLOGP
7.85
XLogP3
9.7
Consensus LogP
8.81
Log S (ESOL)
-7.04
Class (ESOL)
Insoluble
Log S (Ali)
-9.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.96
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 189 of 192 companies (only 1.6% companies provided GHS information). For more detailed information, please visit ECHA C&L website. Reported as not meeting GHS hazard criteria by 101 of 105 companies (only 3.8% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

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