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CAS 77298-24-9 2-METHOXYETHYL PHENYL SULFIDE molecular structure lightbox
CAS RN: 77298-24-9

2-METHOXYETHYL PHENYL SULFIDE

  • Product code: SSC-186764
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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: 5g
  • 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 77298-24-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

77298-24-9 / 2-methoxyethylsulfanylbenzene

Standard CAS: 77298-24-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
77298-24-9
Multi CAS
No
Molecular Formula
C9H12OS
Molecular Weight
168.260000
Exact Mass
168.060886
InChI
InChI=1S/C9H12OS/c1-10-7-8-11-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKey
ONVZBVAUSAELNQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
49.04
TPSA
9.23

LogP / Solubility

WLOGP
2.43
MLOGP
2.13
XLogP3
2.7
Consensus LogP
2.42
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.25
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.02

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

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